# generated using pymatgen data_Er25Ni49P33 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.81141185 _cell_length_b 21.88118873 _cell_length_c 21.88118873 _cell_angle_alpha 119.99999935 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Er25Ni49P33 _chemical_formula_sum 'Er25 Ni49 P33' _cell_volume 1580.36840401 _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 Er Er0 1 0.50000000 0.39236818 0.78473635 1.0 Er Er1 1 0.50000000 0.39236818 0.60763182 1.0 Er Er2 1 0.50000000 0.21526365 0.60763182 1.0 Er Er3 1 -0.00000000 0.00129341 0.17869492 1.0 Er Er4 1 0.00000000 0.17740152 0.99870659 1.0 Er Er5 1 -0.00000000 0.17740152 0.17869492 1.0 Er Er6 1 -0.00000000 0.82130508 0.82259848 1.0 Er Er7 1 -0.00000000 0.82130508 0.99870659 1.0 Er Er8 1 0.00000000 0.00129341 0.82259848 1.0 Er Er9 1 0.50000000 0.57371628 0.14743255 1.0 Er Er10 1 0.50000000 0.57371628 0.42628372 1.0 Er Er11 1 0.50000000 0.85256745 0.42628372 1.0 Er Er12 1 0.50000000 0.21471314 0.42942627 1.0 Er Er13 1 0.50000000 0.21471314 0.78528686 1.0 Er Er14 1 0.50000000 0.57057373 0.78528686 1.0 Er Er15 1 0.50000000 0.57054080 0.60819050 1.0 Er Er16 1 0.50000000 0.03764970 0.42945920 1.0 Er Er17 1 0.50000000 0.03764970 0.60819050 1.0 Er Er18 1 0.50000000 0.39180950 0.96235030 1.0 Er Er19 1 0.50000000 0.39180950 0.42945920 1.0 Er Er20 1 0.50000000 0.57054080 0.96235030 1.0 Er Er21 1 0.00000000 -0.00000000 -0.00000000 1.0 Er Er22 1 0.00000000 0.82388566 0.64777131 1.0 Er Er23 1 -0.00000000 0.82388566 0.17611434 1.0 Er Er24 1 0.00000000 0.35222869 0.17611434 1.0 Ni Ni25 1 0.00000000 0.15234891 0.30469781 1.0 Ni Ni26 1 -0.00000000 0.15234891 0.84765109 1.0 Ni Ni27 1 0.00000000 0.69530219 0.84765109 1.0 Ni Ni28 1 0.50000000 0.88179358 0.76358715 1.0 Ni Ni29 1 0.50000000 0.88179358 0.11820642 1.0 Ni Ni30 1 0.50000000 0.23641285 0.11820642 1.0 Ni Ni31 1 0.00000000 0.51071099 0.02142198 1.0 Ni Ni32 1 -0.00000000 0.51071099 0.48928901 1.0 Ni Ni33 1 0.00000000 0.97857802 0.48928901 1.0 Ni Ni34 1 0.50000000 0.70967310 0.41934620 1.0 Ni Ni35 1 0.50000000 0.70967310 0.29032690 1.0 Ni Ni36 1 0.50000000 0.58065380 0.29032690 1.0 Ni Ni37 1 0.00000000 0.63013844 0.26027688 1.0 Ni Ni38 1 -0.00000000 0.63013844 0.36986156 1.0 Ni Ni39 1 0.00000000 0.73972312 0.36986156 1.0 Ni Ni40 1 0.00000000 0.33333300 0.66666700 1.0 Ni Ni41 1 0.50000000 0.69594234 0.75973157 1.0 Ni Ni42 1 0.50000000 0.06378923 0.30405766 1.0 Ni Ni43 1 0.50000000 0.06378923 0.75973157 1.0 Ni Ni44 1 0.50000000 0.24026843 0.93621077 1.0 Ni Ni45 1 0.50000000 0.24026843 0.30405766 1.0 Ni Ni46 1 0.50000000 0.69594234 0.93621077 1.0 Ni Ni47 1 0.00000000 0.80635325 0.30532980 1.0 Ni Ni48 1 -0.00000000 0.49897655 0.19364675 1.0 Ni Ni49 1 0.00000000 0.49897655 0.30532980 1.0 Ni Ni50 1 0.00000000 0.69467020 0.50102345 1.0 Ni Ni51 1 0.00000000 0.69467020 0.19364675 1.0 Ni Ni52 1 -0.00000000 0.80635325 0.50102345 1.0 Ni Ni53 1 0.50000000 0.05967249 0.11934498 1.0 Ni Ni54 1 0.50000000 0.05967249 0.94032751 1.0 Ni Ni55 1 0.50000000 0.88065502 0.94032751 1.0 Ni Ni56 1 0.00000000 0.97532347 0.30437391 1.0 Ni Ni57 1 -0.00000000 0.32905043 0.02467653 1.0 Ni Ni58 1 -0.00000000 0.32905043 0.30437391 1.0 Ni Ni59 1 -0.00000000 0.69562609 0.67094957 1.0 Ni Ni60 1 0.00000000 0.69562609 0.02467653 1.0 Ni Ni61 1 -0.00000000 0.97532347 0.67094957 1.0 Ni Ni62 1 0.00000000 0.51080806 0.66738160 1.0 Ni Ni63 1 -0.00000000 0.15657355 0.48919194 1.0 Ni Ni64 1 0.00000000 0.15657355 0.66738160 1.0 Ni Ni65 1 0.00000000 0.33261840 0.84342645 1.0 Ni Ni66 1 0.00000000 0.33261840 0.48919194 1.0 Ni Ni67 1 -0.00000000 0.51080806 0.84342645 1.0 Ni Ni68 1 0.50000000 0.88788384 0.30219092 1.0 Ni Ni69 1 0.50000000 0.41430708 0.11211616 1.0 Ni Ni70 1 0.50000000 0.41430708 0.30219092 1.0 Ni Ni71 1 0.50000000 0.69780908 0.58569292 1.0 Ni Ni72 1 0.50000000 0.69780908 0.11211616 1.0 Ni Ni73 1 0.50000000 0.88788384 0.58569292 1.0 P P74 1 -0.00000000 0.27393423 0.54786847 1.0 P P75 1 0.00000000 0.27393423 0.72606577 1.0 P P76 1 -0.00000000 0.45213153 0.72606577 1.0 P P77 1 0.00000000 0.45147349 0.90294698 1.0 P P78 1 -0.00000000 0.45147349 0.54852651 1.0 P P79 1 0.00000000 0.09705302 0.54852651 1.0 P P80 1 0.50000000 0.94149831 0.88299663 1.0 P P81 1 0.50000000 0.94149831 0.05850169 1.0 P P82 1 0.50000000 0.11700337 0.05850169 1.0 P P83 1 0.50000000 0.11785437 0.23570874 1.0 P P84 1 0.50000000 0.11785437 0.88214563 1.0 P P85 1 0.50000000 0.76429126 0.88214563 1.0 P P86 1 0.00000000 0.62802088 0.72591441 1.0 P P87 1 -0.00000000 0.09789353 0.37197912 1.0 P P88 1 0.00000000 0.09789353 0.72591441 1.0 P P89 1 0.00000000 0.27408559 0.90210647 1.0 P P90 1 0.00000000 0.27408559 0.37197912 1.0 P P91 1 -0.00000000 0.62802088 0.90210647 1.0 P P92 1 0.50000000 0.76658689 0.53317378 1.0 P P93 1 0.50000000 0.76658689 0.23341311 1.0 P P94 1 0.50000000 0.46682622 0.23341311 1.0 P P95 1 0.50000000 0.94165202 0.23455325 1.0 P P96 1 0.50000000 0.29290123 0.05834798 1.0 P P97 1 0.50000000 0.29290123 0.23455325 1.0 P P98 1 0.50000000 0.76544675 0.70709877 1.0 P P99 1 0.50000000 0.76544675 0.05834798 1.0 P P100 1 0.50000000 0.94165202 0.70709877 1.0 P P101 1 0.00000000 0.92311404 0.37421981 1.0 P P102 1 -0.00000000 0.45110577 0.07688596 1.0 P P103 1 0.00000000 0.45110577 0.37421981 1.0 P P104 1 0.00000000 0.62578019 0.54889423 1.0 P P105 1 0.00000000 0.62578019 0.07688596 1.0 P P106 1 -0.00000000 0.92311404 0.54889423 1.0