# generated using pymatgen data_Pr31Ni64 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.37848170 _cell_length_b 10.37848170 _cell_length_c 18.02366990 _cell_angle_alpha 73.26697507 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr31Ni64 _chemical_formula_sum 'Pr31 Ni64' _cell_volume 1585.65394914 _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 0.49973963 0.99947927 0.00015895 1.0 Pr Pr1 1 0.99301864 0.98603728 0.49279732 1.0 Pr Pr2 1 0.75018808 0.99104610 0.25876583 1.0 Pr Pr3 1 0.25763534 0.99345605 0.74890860 1.0 Pr Pr4 1 0.00036178 0.50010142 0.00015895 1.0 Pr Pr5 1 0.52116540 0.51418404 0.49279732 1.0 Pr Pr6 1 0.75018808 0.50037616 0.25876583 1.0 Pr Pr7 1 0.25763534 0.51527068 0.74890860 1.0 Pr Pr8 1 0.49973963 0.50010142 0.00015895 1.0 Pr Pr9 1 0.99301864 0.51418404 0.49279732 1.0 Pr Pr10 1 0.24085802 0.99104610 0.25876583 1.0 Pr Pr11 1 0.73582071 0.99345605 0.74890860 1.0 Pr Pr12 1 0.43834764 0.37368561 0.18796676 1.0 Pr Pr13 1 0.94017475 0.37358085 0.68624440 1.0 Pr Pr14 1 0.43834764 0.87669527 0.18796676 1.0 Pr Pr15 1 0.94017475 0.88034949 0.68624440 1.0 Pr Pr16 1 0.18597791 0.37195583 0.44206626 1.0 Pr Pr17 1 0.68783248 0.37566497 0.93650255 1.0 Pr Pr18 1 0.93533797 0.37368561 0.18796676 1.0 Pr Pr19 1 0.43340610 0.37358085 0.68624440 1.0 Pr Pr20 1 0.64615945 0.90199225 0.45184830 1.0 Pr Pr21 1 0.18749398 0.87616256 0.93634346 1.0 Pr Pr22 1 0.64615945 0.29231890 0.45184830 1.0 Pr Pr23 1 0.18749398 0.37498796 0.93634346 1.0 Pr Pr24 1 0.93734186 0.87468372 0.18797443 1.0 Pr Pr25 1 0.45176752 0.90353504 0.64469743 1.0 Pr Pr26 1 0.25583280 0.90199225 0.45184830 1.0 Pr Pr27 1 0.68866858 0.87616256 0.93634346 1.0 Pr Pr28 1 0.24927198 0.49854396 0.25218406 1.0 Pr Pr29 1 0.75062232 0.50124464 0.74813304 1.0 Pr Pr30 1 0.99976719 0.99953439 0.00069842 1.0 Ni Ni31 1 0.96882865 0.18749579 0.34374598 1.0 Ni Ni32 1 0.46867073 0.18748624 0.84376475 1.0 Ni Ni33 1 0.46875823 0.68742537 0.34374598 1.0 Ni Ni34 1 0.96874901 0.68756452 0.84376475 1.0 Ni Ni35 1 0.21866225 0.68742322 0.09391453 1.0 Ni Ni36 1 0.71896754 0.68743802 0.59359444 1.0 Ni Ni37 1 0.96882865 0.43758689 0.34374598 1.0 Ni Ni38 1 0.46867073 0.43741974 0.84376475 1.0 Ni Ni39 1 0.21866225 0.43732449 0.09391453 1.0 Ni Ni40 1 0.71896754 0.43793508 0.59359444 1.0 Ni Ni41 1 0.46875823 0.43758689 0.34374598 1.0 Ni Ni42 1 0.96874901 0.43741974 0.84376475 1.0 Ni Ni43 1 0.59416446 0.68778967 0.21858512 1.0 Ni Ni44 1 0.09406832 0.68772826 0.71861179 1.0 Ni Ni45 1 0.09362521 0.18725042 0.21858512 1.0 Ni Ni46 1 0.59365994 0.18731989 0.71861179 1.0 Ni Ni47 1 0.09362521 0.68778967 0.21858512 1.0 Ni Ni48 1 0.59365994 0.68772826 0.71861179 1.0 Ni Ni49 1 0.46876097 0.68742322 0.09391453 1.0 Ni Ni50 1 0.96847048 0.68743802 0.59359444 1.0 Ni Ni51 1 0.21866713 0.68742537 0.34374598 1.0 Ni Ni52 1 0.71881551 0.68756452 0.84376475 1.0 Ni Ni53 1 0.21866713 0.18749579 0.34374598 1.0 Ni Ni54 1 0.71881551 0.18748624 0.84376475 1.0 Ni Ni55 1 0.96748031 0.68770131 0.34481838 1.0 Ni Ni56 1 0.46809669 0.68926759 0.84263572 1.0 Ni Ni57 1 0.96748031 0.93496061 0.34481838 1.0 Ni Ni58 1 0.46809669 0.93619338 0.84263572 1.0 Ni Ni59 1 0.84433995 0.68867991 0.46698014 1.0 Ni Ni60 1 0.34375834 0.68751668 0.96872498 1.0 Ni Ni61 1 0.72022100 0.68770131 0.34481838 1.0 Ni Ni62 1 0.22117090 0.68926759 0.84263572 1.0 Ni Ni63 1 0.71928967 0.18687182 0.09383851 1.0 Ni Ni64 1 0.21653975 0.18874724 0.59471301 1.0 Ni Ni65 1 0.71928967 0.43857935 0.09383851 1.0 Ni Ni66 1 0.21653975 0.43307950 0.59471301 1.0 Ni Ni67 1 0.59474110 0.18948221 0.21577669 1.0 Ni Ni68 1 0.09315160 0.18630320 0.72054520 1.0 Ni Ni69 1 0.46758215 0.18687182 0.09383851 1.0 Ni Ni70 1 0.97220750 0.18874724 0.59471301 1.0 Ni Ni71 1 0.71947115 0.68732898 0.09419166 1.0 Ni Ni72 1 0.20986440 0.67364572 0.59549114 1.0 Ni Ni73 1 0.21847936 0.18633719 0.09419166 1.0 Ni Ni74 1 0.73086314 0.19464446 0.59549114 1.0 Ni Ni75 1 0.47039241 0.19227502 0.33733257 1.0 Ni Ni76 1 0.96901164 0.18744909 0.84353927 1.0 Ni Ni77 1 0.71947115 0.93795050 0.09419166 1.0 Ni Ni78 1 0.20986440 0.94072754 0.59549114 1.0 Ni Ni79 1 0.47039241 0.94078481 0.33733257 1.0 Ni Ni80 1 0.96901164 0.93802329 0.84353927 1.0 Ni Ni81 1 0.21847936 0.93795050 0.09419166 1.0 Ni Ni82 1 0.73086314 0.94072754 0.59549114 1.0 Ni Ni83 1 0.85635256 0.19279519 0.47076217 1.0 Ni Ni84 1 0.34331308 0.18725351 0.96880606 1.0 Ni Ni85 1 0.33644264 0.67288527 0.47076217 1.0 Ni Ni86 1 0.84394043 0.68788086 0.96880606 1.0 Ni Ni87 1 0.33644264 0.19279519 0.47076217 1.0 Ni Ni88 1 0.84394043 0.18725351 0.96880606 1.0 Ni Ni89 1 0.72188262 0.19227502 0.33733257 1.0 Ni Ni90 1 0.21843744 0.18744909 0.84353927 1.0 Ni Ni91 1 0.96785783 0.18633719 0.09419166 1.0 Ni Ni92 1 0.46378132 0.19464446 0.59549114 1.0 Ni Ni93 1 0.96785783 0.68732898 0.09419166 1.0 Ni Ni94 1 0.46378132 0.67364572 0.59549114 1.0