# generated using pymatgen data_Ni(PO3)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.04665400 _cell_length_b 11.92903900 _cell_length_c 12.88116400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni(PO3)3 _chemical_formula_sum 'Ni4 P12 O36' _cell_volume 775.46838794 _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 0.00000000 0.00000000 0.00000000 1.0 Ni Ni1 1 0.00000000 0.00000000 0.50000000 1.0 Ni Ni2 1 0.00000000 0.50000000 0.00000000 1.0 Ni Ni3 1 0.00000000 0.50000000 0.50000000 1.0 P P4 1 0.23184700 0.75000000 0.00000000 1.0 P P5 1 0.23184700 0.75000000 0.50000000 1.0 P P6 1 0.50163500 0.58305700 0.63167900 1.0 P P7 1 0.50163500 0.58305700 0.86832100 1.0 P P8 1 0.50163500 0.91694300 0.13167900 1.0 P P9 1 0.50163500 0.91694300 0.36832100 1.0 P P10 1 0.49836500 0.08305700 0.63167900 1.0 P P11 1 0.49836500 0.08305700 0.86832100 1.0 P P12 1 0.49836500 0.41694300 0.13167900 1.0 P P13 1 0.49836500 0.41694300 0.36832100 1.0 P P14 1 0.76815300 0.25000000 0.00000000 1.0 P P15 1 0.76815300 0.25000000 0.50000000 1.0 O O16 1 0.08023100 0.65360700 0.04624000 1.0 O O17 1 0.08023100 0.65360700 0.45376000 1.0 O O18 1 0.08023100 0.84639300 0.54624000 1.0 O O19 1 0.08023100 0.84639300 0.95376000 1.0 O O20 1 0.20626300 0.06171900 0.62251800 1.0 O O21 1 0.20626300 0.06171900 0.87748200 1.0 O O22 1 0.20626300 0.43828100 0.12251800 1.0 O O23 1 0.20626300 0.43828100 0.37748200 1.0 O O24 1 0.31691700 0.00388500 0.08650100 1.0 O O25 1 0.31691700 0.00388500 0.41349900 1.0 O O26 1 0.31691700 0.49611500 0.58650100 1.0 O O27 1 0.31691700 0.49611500 0.91349900 1.0 O O28 1 0.42365400 0.60298900 0.75000000 1.0 O O29 1 0.42365400 0.89701100 0.25000000 1.0 O O30 1 0.43318100 0.70586200 0.58727600 1.0 O O31 1 0.43318100 0.70586200 0.91272400 1.0 O O32 1 0.43318100 0.79413800 0.08727600 1.0 O O33 1 0.43318100 0.79413800 0.41272400 1.0 O O34 1 0.56681900 0.20586200 0.58727600 1.0 O O35 1 0.56681900 0.20586200 0.91272400 1.0 O O36 1 0.56681900 0.29413800 0.08727600 1.0 O O37 1 0.56681900 0.29413800 0.41272400 1.0 O O38 1 0.57634600 0.10298900 0.75000000 1.0 O O39 1 0.57634600 0.39701100 0.25000000 1.0 O O40 1 0.68308300 0.50388500 0.08650100 1.0 O O41 1 0.68308300 0.50388500 0.41349900 1.0 O O42 1 0.68308300 0.99611500 0.58650100 1.0 O O43 1 0.68308300 0.99611500 0.91349900 1.0 O O44 1 0.79373700 0.56171900 0.62251800 1.0 O O45 1 0.79373700 0.56171900 0.87748200 1.0 O O46 1 0.79373700 0.93828100 0.12251800 1.0 O O47 1 0.79373700 0.93828100 0.37748200 1.0 O O48 1 0.91976900 0.15360700 0.04624000 1.0 O O49 1 0.91976900 0.15360700 0.45376000 1.0 O O50 1 0.91976900 0.34639300 0.54624000 1.0 O O51 1 0.91976900 0.34639300 0.95376000 1.0