# generated using pymatgen data_Ca11Pr8TmSi16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.55390457 _cell_length_b 7.97631868 _cell_length_c 15.22169779 _cell_angle_alpha 89.96383841 _cell_angle_beta 90.04604843 _cell_angle_gamma 89.99262709 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca11Pr8TmSi16 _chemical_formula_sum 'Ca11 Pr8 Tm1 Si16' _cell_volume 917.14257755 _cell_formula_units_Z 1 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 Ca Ca0 1 0.31651260 0.18099454 0.62211352 1.0 Ca Ca1 1 0.68351758 0.81938017 0.37746946 1.0 Ca Ca2 1 0.64264052 0.00171792 0.75034202 1.0 Ca Ca3 1 0.18503145 0.68044074 0.37770177 1.0 Ca Ca4 1 0.81629104 0.31893407 0.87887233 1.0 Ca Ca5 1 0.81675364 0.31835108 0.62167843 1.0 Ca Ca6 1 0.85951145 0.49984732 0.25054001 1.0 Ca Ca7 1 0.35451675 0.00017413 0.25029887 1.0 Ca Ca8 1 0.31690282 0.17948311 0.88040538 1.0 Ca Ca9 1 0.18339056 0.68251308 0.12049838 1.0 Ca Ca10 1 0.14174429 0.49725630 0.75015675 1.0 Pr Pr11 1 0.03156758 0.18720143 0.39887653 1.0 Pr Pr12 1 0.53099563 0.31337780 0.39995809 1.0 Pr Pr13 1 0.46806769 0.68737914 0.90052278 1.0 Pr Pr14 1 0.46767102 0.68795538 0.60054821 1.0 Pr Pr15 1 0.96808601 0.81202247 0.59993880 1.0 Pr Pr16 1 0.96706798 0.81149430 0.89941186 1.0 Pr Pr17 1 0.53217948 0.31360953 0.10072773 1.0 Pr Pr18 1 0.03030328 0.18789813 0.09841433 1.0 Tm Tm19 1 0.68224517 0.81729882 0.12341215 1.0 Si Si20 1 0.25271079 0.87409804 0.75097326 1.0 Si Si21 1 0.47736667 0.59631970 0.24634012 1.0 Si Si22 1 0.02736476 0.08944194 0.75077852 1.0 Si Si23 1 0.52692017 0.40925056 0.75161194 1.0 Si Si24 1 0.14075787 0.47280610 0.53769452 1.0 Si Si25 1 0.96735784 0.90539648 0.24387513 1.0 Si Si26 1 0.74448787 0.12097919 0.24640780 1.0 Si Si27 1 0.85299122 0.53482390 0.03942388 1.0 Si Si28 1 0.36946060 0.97139421 0.04218550 1.0 Si Si29 1 0.13585165 0.47399182 0.96245220 1.0 Si Si30 1 0.63962457 0.02676312 0.53773225 1.0 Si Si31 1 0.35914581 0.97430817 0.46105760 1.0 Si Si32 1 0.86095790 0.52594366 0.46071908 1.0 Si Si33 1 0.75111614 0.62606587 0.75062940 1.0 Si Si34 1 0.25033571 0.37727512 0.24871167 1.0 Si Si35 1 0.64855489 0.02381166 0.96751976 1.0