# generated using pymatgen data_Zr5Cu3(Ni4P3)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.86786872 _cell_length_b 11.86787009 _cell_length_c 3.65491939 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999619 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr5Cu3(Ni4P3)4 _chemical_formula_sum 'Zr5 Cu3 Ni16 P12' _cell_volume 445.81427337 _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 Zr Zr0 1 0.66666700 0.33333300 0.00000000 1.0 Zr Zr1 1 0.33333300 0.66666700 0.00000000 1.0 Zr Zr2 1 0.81691864 0.81691864 0.50000000 1.0 Zr Zr3 1 0.18308136 0.00000000 0.50000000 1.0 Zr Zr4 1 0.00000000 0.18308136 0.50000000 1.0 Cu Cu5 1 0.44702943 0.44702943 0.00000000 1.0 Cu Cu6 1 0.55297057 0.00000000 0.00000000 1.0 Cu Cu7 1 0.00000000 0.55297057 0.00000000 1.0 Ni Ni8 1 0.19702399 0.37866419 0.00000000 1.0 Ni Ni9 1 0.18164021 0.80297601 0.00000000 1.0 Ni Ni10 1 0.81835979 0.62133581 0.00000000 1.0 Ni Ni11 1 0.80297601 0.18164021 0.00000000 1.0 Ni Ni12 1 0.37866419 0.19702399 0.00000000 1.0 Ni Ni13 1 0.12336471 0.48454978 0.50000000 1.0 Ni Ni14 1 0.36118507 0.87663529 0.50000000 1.0 Ni Ni15 1 0.51545022 0.63881493 0.50000000 1.0 Ni Ni16 1 0.63881493 0.51545022 0.50000000 1.0 Ni Ni17 1 0.87663529 0.36118507 0.50000000 1.0 Ni Ni18 1 0.48454978 0.12336471 0.50000000 1.0 Ni Ni19 1 0.00000000 0.00000000 0.00000000 1.0 Ni Ni20 1 0.71602391 0.00000000 0.50000000 1.0 Ni Ni21 1 0.00000000 0.71602391 0.50000000 1.0 Ni Ni22 1 0.62133581 0.81835979 0.00000000 1.0 Ni Ni23 1 0.28397609 0.28397609 0.50000000 1.0 P P24 1 0.64066952 0.64066952 0.00000000 1.0 P P25 1 0.35933048 0.00000000 0.00000000 1.0 P P26 1 1.00000000 0.35933048 0.00000000 1.0 P P27 1 0.48245531 0.31081169 0.50000000 1.0 P P28 1 0.68918831 0.17164362 0.50000000 1.0 P P29 1 0.82835638 0.51754469 0.50000000 1.0 P P30 1 0.51754469 0.82835638 0.50000000 1.0 P P31 1 0.17164362 0.68918831 0.50000000 1.0 P P32 1 0.82259542 0.00000000 0.00000000 1.0 P P33 1 0.00000000 0.82259542 0.00000000 1.0 P P34 1 0.31081169 0.48245531 0.50000000 1.0 P P35 1 0.17740458 0.17740458 0.00000000 1.0