# generated using pymatgen data_Ni5P4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.73183116 _cell_length_b 6.73183012 _cell_length_c 10.91806761 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999530 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni5P4 _chemical_formula_sum 'Ni20 P16' _cell_volume 428.49207513 _cell_formula_units_Z 4 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 Ni Ni0 1 0.92002567 0.46001284 0.37948443 1.0 Ni Ni1 1 0.46001284 0.53998716 0.87948443 1.0 Ni Ni2 1 0.00000000 0.00000000 0.19850156 1.0 Ni Ni3 1 0.00000000 0.00000000 0.69850156 1.0 Ni Ni4 1 0.53998716 0.07997333 0.37948443 1.0 Ni Ni5 1 0.46001284 0.92002567 0.87948443 1.0 Ni Ni6 1 0.07997333 0.53998716 0.87948443 1.0 Ni Ni7 1 0.53998716 0.46001284 0.37948443 1.0 Ni Ni8 1 0.79325220 0.20674780 0.73843882 1.0 Ni Ni9 1 0.58650540 0.79325220 0.23843882 1.0 Ni Ni10 1 0.20674780 0.41349460 0.23843882 1.0 Ni Ni11 1 0.79325220 0.58650540 0.73843882 1.0 Ni Ni12 1 0.41349460 0.20674780 0.73843882 1.0 Ni Ni13 1 0.20674780 0.79325220 0.23843882 1.0 Ni Ni14 1 0.46286361 0.53713639 0.58910926 1.0 Ni Ni15 1 0.92572822 0.46286361 0.08910926 1.0 Ni Ni16 1 0.53713639 0.07427178 0.08910926 1.0 Ni Ni17 1 0.46286361 0.92572822 0.58910926 1.0 Ni Ni18 1 0.07427178 0.53713639 0.58910926 1.0 Ni Ni19 1 0.53713639 0.46286361 0.08910926 1.0 P P20 1 0.66666700 0.33333300 0.55924267 1.0 P P21 1 0.33333300 0.66666700 0.05924267 1.0 P P22 1 0.00000000 0.00000000 0.49946991 1.0 P P23 1 0.00000000 0.00000000 -0.00053009 1.0 P P24 1 0.82111753 0.17888247 0.94250346 1.0 P P25 1 0.64223307 0.82111753 0.44250346 1.0 P P26 1 0.17888247 0.35776693 0.44250346 1.0 P P27 1 0.82111753 0.64223307 0.94250346 1.0 P P28 1 0.35776693 0.17888247 0.94250346 1.0 P P29 1 0.17888247 0.82111753 0.44250346 1.0 P P30 1 0.18132084 0.81867916 0.73128398 1.0 P P31 1 0.36264468 0.18132084 0.23128398 1.0 P P32 1 0.81867916 0.63735532 0.23128398 1.0 P P33 1 0.18132084 0.36264468 0.73128398 1.0 P P34 1 0.63735532 0.81867916 0.73128398 1.0 P P35 1 0.81867916 0.18132084 0.23128398 1.0