# generated using pymatgen data_Er5Si3C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 14.60548776 _cell_length_b 14.60548793 _cell_length_c 18.86077235 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999962 _symmetry_Int_Tables_number 1 _chemical_formula_structural Er5Si3C _chemical_formula_sum 'Er90 Si54 C18' _cell_volume 3484.35376059 _cell_formula_units_Z 18 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Er Er0 1 0.15633256 0.07816628 0.75942296 1.0 Er Er1 1 0.82295924 0.41147962 0.40697326 1.0 Er Er2 1 0.49503063 0.74751532 0.09331714 1.0 Er Er3 1 0.85104750 0.92552375 0.91764530 1.0 Er Er4 1 0.24685605 0.49371211 0.41880494 1.0 Er Er5 1 0.33280907 0.32624965 0.16711323 1.0 Er Er6 1 0.57921507 0.42078493 0.74793707 1.0 Er Er7 1 0.25949786 0.51899572 0.75682081 1.0 Er Er8 1 0.66495543 0.66495543 0.00000000 1.0 Er Er9 1 0.32624965 0.99344058 0.83288677 1.0 Er Er10 1 0.92183372 0.07816628 0.75942296 1.0 Er Er11 1 0.99344058 0.66719093 0.16711323 1.0 Er Er12 1 0.74050214 0.48100428 0.24317919 1.0 Er Er13 1 0.66140378 0.00000000 0.50000000 1.0 Er Er14 1 0.00000000 0.33504457 0.00000000 1.0 Er Er15 1 1.00000000 0.66140378 0.50000000 1.0 Er Er16 1 0.41147962 0.58852038 0.59302674 1.0 Er Er17 1 0.07447625 0.92552375 0.91764530 1.0 Er Er18 1 0.74751532 0.49503063 0.90668286 1.0 Er Er19 1 0.07816628 0.15633256 0.24057704 1.0 Er Er20 1 0.84205711 0.92102856 0.57352397 1.0 Er Er21 1 0.92183372 0.84366744 0.75942296 1.0 Er Er22 1 0.66495543 0.00000000 0.00000000 1.0 Er Er23 1 0.58852038 0.17704076 0.40697326 1.0 Er Er24 1 0.25949786 0.74050214 0.75682081 1.0 Er Er25 1 0.07897144 0.92102856 0.57352397 1.0 Er Er26 1 0.58852038 0.41147962 0.40697326 1.0 Er Er27 1 0.92552375 0.07447625 0.08235470 1.0 Er Er28 1 0.25248468 0.74751532 0.09331714 1.0 Er Er29 1 0.32276809 0.32349806 0.33246908 1.0 Er Er30 1 0.49371211 0.24685605 0.58119506 1.0 Er Er31 1 0.33504457 0.33504457 0.00000000 1.0 Er Er32 1 1.00000000 0.66495543 0.00000000 1.0 Er Er33 1 0.66140378 0.66140378 0.50000000 1.0 Er Er34 1 0.32624965 0.33280907 0.83288677 1.0 Er Er35 1 0.67723191 0.67650194 0.66753092 1.0 Er Er36 1 0.07816628 0.92183372 0.24057704 1.0 Er Er37 1 0.41132482 0.58867518 0.92081368 1.0 Er Er38 1 0.33859622 0.33859622 0.50000000 1.0 Er Er39 1 0.48100428 0.74050214 0.75682081 1.0 Er Er40 1 0.07897144 0.15794289 0.57352397 1.0 Er Er41 1 0.99344058 0.32624965 0.16711323 1.0 Er Er42 1 0.84366744 0.92183372 0.24057704 1.0 Er Er43 1 0.75314395 0.24685605 0.58119506 1.0 Er Er44 1 0.24685605 0.75314395 0.41880494 1.0 Er Er45 1 0.25248468 0.50496937 0.09331714 1.0 Er Er46 1 0.92552375 0.85104750 0.08235470 1.0 Er Er47 1 0.00072997 0.32349806 0.33246908 1.0 Er Er48 1 0.99927003 0.32276809 0.66753092 1.0 Er Er49 1 0.15794289 0.07897144 0.42647603 1.0 Er Er50 1 0.17735037 0.58867518 0.92081368 1.0 Er Er51 1 0.00655942 0.33280907 0.83288677 1.0 Er Er52 1 0.67650194 0.67723191 0.33246908 1.0 Er Er53 1 0.66719093 0.67375035 0.83288677 1.0 Er Er54 1 0.50628789 0.75314395 0.41880494 1.0 Er Er55 1 0.67723191 0.00072997 0.66753092 1.0 Er Er56 1 0.51899572 0.25949786 0.24317919 1.0 Er Er57 1 0.32349806 0.32276809 0.66753092 1.0 Er Er58 1 0.17704076 0.58852038 0.59302674 1.0 Er Er59 1 0.92102856 0.07897144 0.42647603 1.0 Er Er60 1 0.75314395 0.50628789 0.58119506 1.0 Er Er61 1 0.00072997 0.67723191 0.33246908 1.0 Er Er62 1 0.14895250 0.07447625 0.08235470 1.0 Er Er63 1 0.33504457 0.00000000 0.00000000 1.0 Er Er64 1 0.58867518 0.17735037 0.07918632 1.0 Er Er65 1 0.00000000 0.33859622 0.50000000 1.0 Er Er66 1 0.42078493 0.84156987 0.25206293 1.0 Er Er67 1 0.32276809 0.99927003 0.33246908 1.0 Er Er68 1 0.84156987 0.42078493 0.74793707 1.0 Er Er69 1 0.50496937 0.25248468 0.90668286 1.0 Er Er70 1 0.67375035 0.66719093 0.16711323 1.0 Er Er71 1 0.33859622 0.00000000 0.50000000 1.0 Er Er72 1 0.41132482 0.82264963 0.92081368 1.0 Er Er73 1 0.07447625 0.14895250 0.91764530 1.0 Er Er74 1 0.67650194 0.99927003 0.33246908 1.0 Er Er75 1 0.82264963 0.41132482 0.07918632 1.0 Er Er76 1 0.99927003 0.67650194 0.66753092 1.0 Er Er77 1 0.41147962 0.82295924 0.59302674 1.0 Er Er78 1 0.58867518 0.41132482 0.07918632 1.0 Er Er79 1 0.74050214 0.25949786 0.24317919 1.0 Er Er80 1 0.00655942 0.67375035 0.83288677 1.0 Er Er81 1 0.74751532 0.25248468 0.90668286 1.0 Er Er82 1 0.92102856 0.84205711 0.42647603 1.0 Er Er83 1 0.57921507 0.15843013 0.74793707 1.0 Er Er84 1 0.33280907 0.00655942 0.16711323 1.0 Er Er85 1 0.32349806 0.00072997 0.66753092 1.0 Er Er86 1 0.15843013 0.57921507 0.25206293 1.0 Er Er87 1 0.42078493 0.57921507 0.25206293 1.0 Er Er88 1 0.67375035 0.00655942 0.16711323 1.0 Er Er89 1 0.66719093 0.99344058 0.83288677 1.0 Si Si90 1 0.20029696 0.40059392 0.58032314 1.0 Si Si91 1 0.86691567 0.13308433 0.24808775 1.0 Si Si92 1 0.73383134 0.86691567 0.75191225 1.0 Si Si93 1 0.46481550 0.92963099 0.41249480 1.0 Si Si94 1 0.46481550 0.53518450 0.41249480 1.0 Si Si95 1 0.80012290 0.19987710 0.75221512 1.0 Si Si96 1 0.06766663 0.53383331 0.74957899 1.0 Si Si97 1 0.53383331 0.06766663 0.25042101 1.0 Si Si98 1 0.13308433 0.26616866 0.75191225 1.0 Si Si99 1 0.40059392 0.20029696 0.41967686 1.0 Si Si100 1 0.79988236 0.59976472 0.07908450 1.0 Si Si101 1 0.93163154 0.46581577 0.91407228 1.0 Si Si102 1 0.20011764 0.40023528 0.92091550 1.0 Si Si103 1 0.13115599 0.86884401 0.41955768 1.0 Si Si104 1 0.73187844 0.86593922 0.08928041 1.0 Si Si105 1 0.26812156 0.13406078 0.91071959 1.0 Si Si106 1 0.86691567 0.73383134 0.24808775 1.0 Si Si107 1 0.53383331 0.46616669 0.25042101 1.0 Si Si108 1 0.26231199 0.13115599 0.58044232 1.0 Si Si109 1 0.13115599 0.26231199 0.41955768 1.0 Si Si110 1 0.86593922 0.73187844 0.91071959 1.0 Si Si111 1 0.06836846 0.53418423 0.08592772 1.0 Si Si112 1 0.79970304 0.20029696 0.41967686 1.0 Si Si113 1 0.26616866 0.13308433 0.24808775 1.0 Si Si114 1 0.80012290 0.60024579 0.75221512 1.0 Si Si115 1 0.19987710 0.39975421 0.24778488 1.0 Si Si116 1 0.46616669 0.53383331 0.74957899 1.0 Si Si117 1 0.92963099 0.46481550 0.58750520 1.0 Si Si118 1 0.13308433 0.86691567 0.75191225 1.0 Si Si119 1 0.53418423 0.06836846 0.91407228 1.0 Si Si120 1 0.13406078 0.26812156 0.08928041 1.0 Si Si121 1 0.07036901 0.53518450 0.41249480 1.0 Si Si122 1 0.46616669 0.93233337 0.74957899 1.0 Si Si123 1 0.79970304 0.59940608 0.41967686 1.0 Si Si124 1 0.20029696 0.79970304 0.58032314 1.0 Si Si125 1 0.20011764 0.79988236 0.92091550 1.0 Si Si126 1 0.53518450 0.46481550 0.58750520 1.0 Si Si127 1 0.86884401 0.73768801 0.58044232 1.0 Si Si128 1 0.93233337 0.46616669 0.25042101 1.0 Si Si129 1 0.53518450 0.07036901 0.58750520 1.0 Si Si130 1 0.40023528 0.20011764 0.07908450 1.0 Si Si131 1 0.73768801 0.86884401 0.41955768 1.0 Si Si132 1 0.60024579 0.80012290 0.24778488 1.0 Si Si133 1 0.13406078 0.86593922 0.08928041 1.0 Si Si134 1 0.59976472 0.79988236 0.92091550 1.0 Si Si135 1 0.39975421 0.19987710 0.75221512 1.0 Si Si136 1 0.59940608 0.79970304 0.58032314 1.0 Si Si137 1 0.53418423 0.46581577 0.91407228 1.0 Si Si138 1 0.86593922 0.13406078 0.91071959 1.0 Si Si139 1 0.19987710 0.80012290 0.24778488 1.0 Si Si140 1 0.79988236 0.20011764 0.07908450 1.0 Si Si141 1 0.86884401 0.13115599 0.58044232 1.0 Si Si142 1 0.46581577 0.93163154 0.08592772 1.0 Si Si143 1 0.46581577 0.53418423 0.08592772 1.0 C C144 1 0.50000000 0.50000000 0.50000000 1.0 C C145 1 0.66666700 0.33333300 0.15436315 1.0 C C146 1 0.00000000 0.00000000 0.82744989 1.0 C C147 1 0.33333300 0.66666700 0.16715378 1.0 C C148 1 0.00000000 0.00000000 0.17255011 1.0 C C149 1 0.66666700 0.33333300 0.83284622 1.0 C C150 1 0.50000000 0.50000000 0.00000000 1.0 C C151 1 0.33333300 0.66666700 0.23886861 1.0 C C152 1 0.00000000 0.00000000 0.00000000 1.0 C C153 1 0.33333300 0.66666700 0.84563685 1.0 C C154 1 0.00000000 0.50000000 0.50000000 1.0 C C155 1 0.33333300 0.66666700 0.66762460 1.0 C C156 1 0.50000000 0.00000000 0.00000000 1.0 C C157 1 0.66666700 0.33333300 0.76113139 1.0 C C158 1 0.50000000 0.00000000 0.50000000 1.0 C C159 1 0.00000000 0.00000000 0.50000000 1.0 C C160 1 0.00000000 0.50000000 0.00000000 1.0 C C161 1 0.66666700 0.33333300 0.33237540 1.0