# generated using pymatgen data_Ni(PO3)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.39835927 _cell_length_b 7.39835927 _cell_length_c 10.09764820 _cell_angle_alpha 68.13974977 _cell_angle_beta 68.13974977 _cell_angle_gamma 64.46641678 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni(PO3)4 _chemical_formula_sum 'Ni2 P8 O24' _cell_volume 447.80572990 _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 0.50000000 0.00000000 0.00000000 1.0 Ni Ni1 1 0.00000000 0.50000000 0.50000000 1.0 P P2 1 0.75443000 0.26324000 0.48433800 1.0 P P3 1 0.73676000 0.24557000 0.01566200 1.0 P P4 1 0.68756900 0.66949600 0.81263700 1.0 P P5 1 0.26324000 0.75443000 0.98433800 1.0 P P6 1 0.24557000 0.73676000 0.51566200 1.0 P P7 1 0.33050400 0.31243100 0.68736300 1.0 P P8 1 0.66949600 0.68756900 0.31263700 1.0 P P9 1 0.31243100 0.33050400 0.18736300 1.0 O O10 1 0.67800100 0.45248300 0.34848700 1.0 O O11 1 0.20675600 0.33048800 0.34419300 1.0 O O12 1 0.79324400 0.66951200 0.65580700 1.0 O O13 1 0.81523400 0.33999800 0.57506200 1.0 O O14 1 0.33999800 0.81523400 0.07506200 1.0 O O15 1 0.45248300 0.67800100 0.84848700 1.0 O O16 1 0.30974100 0.15687700 0.14375800 1.0 O O17 1 0.20812100 0.54880300 0.08050000 1.0 O O18 1 0.54880300 0.20812100 0.58050000 1.0 O O19 1 0.08500900 0.90672400 0.91636700 1.0 O O20 1 0.32199900 0.54751700 0.65151300 1.0 O O21 1 0.33048800 0.20675600 0.84419300 1.0 O O22 1 0.84312300 0.69025900 0.35624200 1.0 O O23 1 0.09327600 0.91499100 0.58363300 1.0 O O24 1 0.90672400 0.08500900 0.41636700 1.0 O O25 1 0.66000200 0.18476600 0.92493800 1.0 O O26 1 0.66951200 0.79324400 0.15580700 1.0 O O27 1 0.18476600 0.66000200 0.42493800 1.0 O O28 1 0.91499100 0.09327600 0.08363300 1.0 O O29 1 0.45119700 0.79187900 0.41950000 1.0 O O30 1 0.79187900 0.45119700 0.91950000 1.0 O O31 1 0.69025900 0.84312300 0.85624200 1.0 O O32 1 0.54751700 0.32199900 0.15151300 1.0 O O33 1 0.15687700 0.30974100 0.64375800 1.0