# generated using pymatgen data_Ni(PO3)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.21207404 _cell_length_b 8.21207404 _cell_length_c 7.55901357 _cell_angle_alpha 78.18610627 _cell_angle_beta 78.18610627 _cell_angle_gamma 108.96305306 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni(PO3)4 _chemical_formula_sum 'Ni2 P8 O24' _cell_volume 451.17276071 _cell_formula_units_Z 2 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 0.87031000 0.12837000 0.74360400 1.0 Ni Ni1 1 0.12837000 0.87031000 0.24360400 1.0 P P2 1 0.60155400 0.27119300 0.61594600 1.0 P P3 1 0.73603000 0.39286800 0.90042900 1.0 P P4 1 0.04633100 0.20876600 0.30979900 1.0 P P5 1 0.27119300 0.60155400 0.11594600 1.0 P P6 1 0.39286800 0.73603000 0.40042900 1.0 P P7 1 0.95224500 0.78915800 0.67888600 1.0 P P8 1 0.78915800 0.95224500 0.17888600 1.0 P P9 1 0.20876600 0.04633100 0.80979900 1.0 O O10 1 0.64879200 0.31866400 0.10413600 1.0 O O11 1 0.87101800 0.12767700 0.24459300 1.0 O O12 1 0.12767700 0.87101800 0.74459300 1.0 O O13 1 0.10829300 0.65559400 0.18369800 1.0 O O14 1 0.00387200 0.26672700 0.48734400 1.0 O O15 1 0.16262000 0.38819900 0.14373800 1.0 O O16 1 0.34668900 0.89288200 0.29658700 1.0 O O17 1 0.08390400 0.14812400 0.81780800 1.0 O O18 1 0.14812400 0.08390400 0.31780800 1.0 O O19 1 0.36664200 0.59069600 0.28325900 1.0 O O20 1 0.31866400 0.64879200 0.60413600 1.0 O O21 1 0.40223400 0.68936400 0.92866600 1.0 O O22 1 0.61141000 0.83594800 0.34527200 1.0 O O23 1 0.26672700 0.00387200 0.98734400 1.0 O O24 1 0.38819900 0.16262000 0.64373800 1.0 O O25 1 0.99582700 0.73176200 0.50091800 1.0 O O26 1 0.59069600 0.36664200 0.78325900 1.0 O O27 1 0.73176200 0.99582700 0.00091800 1.0 O O28 1 0.85154500 0.91505500 0.66933400 1.0 O O29 1 0.68936400 0.40223400 0.42866600 1.0 O O30 1 0.91505500 0.85154500 0.16933400 1.0 O O31 1 0.65559400 0.10829300 0.68369800 1.0 O O32 1 0.83594800 0.61141000 0.84527200 1.0 O O33 1 0.89288200 0.34668900 0.79658700 1.0