# generated using pymatgen data_Pr6Ni20P13 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.74620935 _cell_length_b 12.74624967 _cell_length_c 3.84907211 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99669812 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr6Ni20P13 _chemical_formula_sum 'Pr6 Ni20 P13' _cell_volume 541.58246695 _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 0.18473321 0.46689707 0.00000000 1.0 Pr Pr1 1 0.53311222 0.71781994 0.00000000 1.0 Pr Pr2 1 0.28219526 0.81528494 0.00000000 1.0 Pr Pr3 1 0.71802743 0.18425739 0.50000000 1.0 Pr Pr4 1 0.81572398 0.53377274 0.50000000 1.0 Pr Pr5 1 0.46623259 0.28198197 0.50000000 1.0 Ni Ni6 1 0.08662456 0.19180292 0.00000000 1.0 Ni Ni7 1 0.80814535 0.89471933 -0.00000000 1.0 Ni Ni8 1 0.10524805 0.91350443 -0.00000000 1.0 Ni Ni9 1 0.33340327 0.66667695 0.50000000 1.0 Ni Ni10 1 0.92538198 0.06752335 0.50000000 1.0 Ni Ni11 1 0.93236878 0.85781658 0.50000000 1.0 Ni Ni12 1 0.14223040 0.07466640 0.50000000 1.0 Ni Ni13 1 0.66659530 0.33332509 0.00000000 1.0 Ni Ni14 1 0.41394537 0.43832093 0.00000000 1.0 Ni Ni15 1 0.56168234 0.97559022 -0.00000000 1.0 Ni Ni16 1 0.02438782 0.58609579 -0.00000000 1.0 Ni Ni17 1 0.23882359 0.30868648 0.50000000 1.0 Ni Ni18 1 0.69132417 0.93004294 0.50000000 1.0 Ni Ni19 1 0.06992484 0.76130708 0.50000000 1.0 Ni Ni20 1 0.43298145 0.02588027 0.50000000 1.0 Ni Ni21 1 0.97413291 0.40705671 0.50000000 1.0 Ni Ni22 1 0.59286720 0.56703020 0.50000000 1.0 Ni Ni23 1 0.92163254 0.23816043 0.00000000 1.0 Ni Ni24 1 0.76169347 0.68340909 -0.00000000 1.0 Ni Ni25 1 0.31662272 0.07839912 0.00000000 1.0 P P26 1 0.38694195 0.51777614 0.50000000 1.0 P P27 1 0.48222419 0.86915964 0.50000000 1.0 P P28 1 0.13083005 0.61305099 0.50000000 1.0 P P29 1 0.03813998 0.26935768 0.50000000 1.0 P P30 1 0.73065353 0.76878968 0.50000000 1.0 P P31 1 0.23122642 0.96187155 0.50000000 1.0 P P32 1 0.51782197 0.13163298 -0.00000000 1.0 P P33 1 0.86835820 0.38618705 0.00000000 1.0 P P34 1 0.61380991 0.48217786 0.00000000 1.0 P P35 1 0.76326598 0.03984252 -0.00000000 1.0 P P36 1 0.96013515 0.72343532 0.00000000 1.0 P P37 1 0.27655619 0.23669372 0.00000000 1.0 P P38 1 -0.00000532 -0.00000048 0.00000000 1.0