# generated using pymatgen data_Pr25Ni49P33 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.96550034 _cell_length_b 22.12766925 _cell_length_c 22.12766925 _cell_angle_alpha 120.00000135 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr25Ni49P33 _chemical_formula_sum 'Pr25 Ni49 P33' _cell_volume 1681.51195693 _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 Pr Pr0 1 0.50000000 0.57290585 0.60888685 1.0 Pr Pr1 1 0.50000000 0.03598101 0.42709415 1.0 Pr Pr2 1 0.50000000 0.03598101 0.60888685 1.0 Pr Pr3 1 0.50000000 0.39111315 0.96401899 1.0 Pr Pr4 1 0.50000000 0.39111315 0.42709415 1.0 Pr Pr5 1 0.50000000 0.57290585 0.96401899 1.0 Pr Pr6 1 0.00000000 0.82227064 0.64454127 1.0 Pr Pr7 1 -0.00000000 0.82227064 0.17772936 1.0 Pr Pr8 1 0.00000000 0.35545873 0.17772936 1.0 Pr Pr9 1 0.50000000 0.57441826 0.14883651 1.0 Pr Pr10 1 0.50000000 0.57441826 0.42558174 1.0 Pr Pr11 1 0.50000000 0.85116349 0.42558174 1.0 Pr Pr12 1 -0.00000000 0.00096850 0.18025251 1.0 Pr Pr13 1 0.00000000 0.17928401 0.99903150 1.0 Pr Pr14 1 0.00000000 0.17928401 0.18025251 1.0 Pr Pr15 1 0.00000000 0.81974749 0.82071599 1.0 Pr Pr16 1 -0.00000000 0.81974749 0.99903150 1.0 Pr Pr17 1 0.00000000 0.00096850 0.82071599 1.0 Pr Pr18 1 0.00000000 0.00000000 0.00000000 1.0 Pr Pr19 1 0.50000000 0.21390485 0.42780970 1.0 Pr Pr20 1 0.50000000 0.21390485 0.78609515 1.0 Pr Pr21 1 0.50000000 0.57219030 0.78609515 1.0 Pr Pr22 1 0.50000000 0.39290256 0.78580512 1.0 Pr Pr23 1 0.50000000 0.39290256 0.60709744 1.0 Pr Pr24 1 0.50000000 0.21419488 0.60709744 1.0 Ni Ni25 1 0.50000000 0.88437042 0.30382353 1.0 Ni Ni26 1 0.50000000 0.41945311 0.11562958 1.0 Ni Ni27 1 0.50000000 0.41945311 0.30382353 1.0 Ni Ni28 1 0.50000000 0.69617647 0.58054689 1.0 Ni Ni29 1 0.50000000 0.69617647 0.11562958 1.0 Ni Ni30 1 0.50000000 0.88437042 0.58054689 1.0 Ni Ni31 1 0.00000000 0.80450385 0.30386239 1.0 Ni Ni32 1 -0.00000000 0.49935854 0.19549615 1.0 Ni Ni33 1 -0.00000000 0.49935854 0.30386239 1.0 Ni Ni34 1 -0.00000000 0.69613761 0.50064146 1.0 Ni Ni35 1 0.00000000 0.69613761 0.19549615 1.0 Ni Ni36 1 -0.00000000 0.80450385 0.50064146 1.0 Ni Ni37 1 0.50000000 0.69514248 0.76066076 1.0 Ni Ni38 1 0.50000000 0.06551828 0.30485752 1.0 Ni Ni39 1 0.50000000 0.06551828 0.76066076 1.0 Ni Ni40 1 0.50000000 0.23933924 0.93448172 1.0 Ni Ni41 1 0.50000000 0.23933924 0.30485752 1.0 Ni Ni42 1 0.50000000 0.69514248 0.93448172 1.0 Ni Ni43 1 -0.00000000 0.51228359 0.02456719 1.0 Ni Ni44 1 0.00000000 0.51228359 0.48771641 1.0 Ni Ni45 1 -0.00000000 0.97543281 0.48771641 1.0 Ni Ni46 1 0.00000000 0.63116342 0.26232684 1.0 Ni Ni47 1 -0.00000000 0.63116342 0.36883658 1.0 Ni Ni48 1 0.00000000 0.73767316 0.36883658 1.0 Ni Ni49 1 0.50000000 0.06021906 0.12043811 1.0 Ni Ni50 1 0.50000000 0.06021906 0.93978094 1.0 Ni Ni51 1 0.50000000 0.87956189 0.93978094 1.0 Ni Ni52 1 0.50000000 0.70685613 0.41371225 1.0 Ni Ni53 1 0.50000000 0.70685613 0.29314387 1.0 Ni Ni54 1 0.50000000 0.58628775 0.29314387 1.0 Ni Ni55 1 -0.00000000 0.33333300 0.66666700 1.0 Ni Ni56 1 -0.00000000 0.97451438 0.30306275 1.0 Ni Ni57 1 -0.00000000 0.32854837 0.02548562 1.0 Ni Ni58 1 0.00000000 0.32854837 0.30306275 1.0 Ni Ni59 1 0.00000000 0.69693725 0.67145163 1.0 Ni Ni60 1 -0.00000000 0.69693725 0.02548562 1.0 Ni Ni61 1 -0.00000000 0.97451438 0.67145163 1.0 Ni Ni62 1 0.00000000 0.15150106 0.30300212 1.0 Ni Ni63 1 -0.00000000 0.15150106 0.84849894 1.0 Ni Ni64 1 0.00000000 0.69699788 0.84849894 1.0 Ni Ni65 1 0.50000000 0.88051035 0.76102071 1.0 Ni Ni66 1 0.50000000 0.88051035 0.11948965 1.0 Ni Ni67 1 0.50000000 0.23897929 0.11948965 1.0 Ni Ni68 1 0.00000000 0.51261767 0.66717705 1.0 Ni Ni69 1 0.00000000 0.15455938 0.48738233 1.0 Ni Ni70 1 -0.00000000 0.15455938 0.66717705 1.0 Ni Ni71 1 -0.00000000 0.33282295 0.84544062 1.0 Ni Ni72 1 0.00000000 0.33282295 0.48738233 1.0 Ni Ni73 1 0.00000000 0.51261767 0.84544062 1.0 P P74 1 0.50000000 0.76293444 0.52586888 1.0 P P75 1 0.50000000 0.76293444 0.23706556 1.0 P P76 1 0.50000000 0.47413112 0.23706556 1.0 P P77 1 -0.00000000 0.27384819 0.54769638 1.0 P P78 1 0.00000000 0.27384819 0.72615181 1.0 P P79 1 -0.00000000 0.45230362 0.72615181 1.0 P P80 1 -0.00000000 0.45226853 0.90453706 1.0 P P81 1 0.00000000 0.45226853 0.54773147 1.0 P P82 1 -0.00000000 0.09546294 0.54773147 1.0 P P83 1 0.50000000 0.11947628 0.23895256 1.0 P P84 1 0.50000000 0.11947628 0.88052372 1.0 P P85 1 0.50000000 0.76104744 0.88052372 1.0 P P86 1 -0.00000000 0.63174115 0.72707245 1.0 P P87 1 -0.00000000 0.09533130 0.36825885 1.0 P P88 1 0.00000000 0.09533130 0.72707245 1.0 P P89 1 0.00000000 0.27292755 0.90466870 1.0 P P90 1 -0.00000000 0.27292755 0.36825885 1.0 P P91 1 -0.00000000 0.63174115 0.90466870 1.0 P P92 1 -0.00000000 0.91932781 0.36945520 1.0 P P93 1 0.00000000 0.45012739 0.08067219 1.0 P P94 1 -0.00000000 0.45012739 0.36945520 1.0 P P95 1 -0.00000000 0.63054480 0.54987261 1.0 P P96 1 -0.00000000 0.63054480 0.08067219 1.0 P P97 1 0.00000000 0.91932781 0.54987261 1.0 P P98 1 0.50000000 0.94051827 0.88103653 1.0 P P99 1 0.50000000 0.94051827 0.05948173 1.0 P P100 1 0.50000000 0.11896347 0.05948173 1.0 P P101 1 0.50000000 0.94220097 0.23937542 1.0 P P102 1 0.50000000 0.29717446 0.05779903 1.0 P P103 1 0.50000000 0.29717446 0.23937542 1.0 P P104 1 0.50000000 0.76062458 0.70282554 1.0 P P105 1 0.50000000 0.76062458 0.05779903 1.0 P P106 1 0.50000000 0.94220097 0.70282554 1.0