# generated using pymatgen data_Ni7(PO4)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.83620282 _cell_length_b 8.83620348 _cell_length_c 6.53172273 _cell_angle_alpha 81.38714631 _cell_angle_beta 98.61285276 _cell_angle_gamma 74.44082262 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni7(PO4)6 _chemical_formula_sum 'Ni7 P6 O24' _cell_volume 476.00258881 _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 Ni Ni0 1 0.64423500 0.97076000 0.19013500 1.0 Ni Ni1 1 0.62215100 0.61354000 0.00339100 1.0 Ni Ni2 1 0.36441700 0.02065800 0.81642700 1.0 Ni Ni3 1 0.38646000 0.37784900 0.00339100 1.0 Ni Ni4 1 0.00433300 0.99566700 0.00335800 1.0 Ni Ni5 1 0.97934200 0.63558300 0.81642700 1.0 Ni Ni6 1 0.02924100 0.35576500 0.19013500 1.0 P P7 1 0.10929300 0.28427100 0.72874300 1.0 P P8 1 0.29288700 0.10067400 0.27784500 1.0 P P9 1 0.30697300 0.69302700 0.01778000 1.0 P P10 1 0.70161200 0.29838700 0.98894400 1.0 P P11 1 0.71572800 0.89070600 0.72874300 1.0 P P12 1 0.89932600 0.70711300 0.27784500 1.0 O O13 1 0.35561300 0.01668800 0.50842300 1.0 O O14 1 0.89781500 0.88136600 0.79100400 1.0 O O15 1 0.02532000 0.34695300 0.49814700 1.0 O O16 1 0.71554200 0.72021700 0.23187400 1.0 O O17 1 0.79014000 0.39446000 0.12320200 1.0 O O18 1 0.72873200 0.70696800 0.77469800 1.0 O O19 1 0.89000000 0.88918400 0.21553300 1.0 O O20 1 0.11863300 0.10218600 0.79100400 1.0 O O21 1 0.02018200 0.39245600 0.86543800 1.0 O O22 1 0.11081600 0.11000000 0.21553300 1.0 O O23 1 0.98331200 0.64438700 0.50842300 1.0 O O24 1 0.29303200 0.27126800 0.77469800 1.0 O O25 1 0.21843100 0.59697300 0.88349400 1.0 O O26 1 0.27978200 0.28445800 0.23187400 1.0 O O27 1 0.60754400 0.97981800 0.86543800 1.0 O O28 1 0.19498900 0.80501100 0.12022900 1.0 O O29 1 0.40302600 0.78156900 0.88349400 1.0 O O30 1 0.44596100 0.55403900 0.16877800 1.0 O O31 1 0.98836200 0.59890800 0.14111800 1.0 O O32 1 0.65304700 0.97468000 0.49814700 1.0 O O33 1 0.56260500 0.43739500 0.83798700 1.0 O O34 1 0.60554100 0.20985900 0.12320200 1.0 O O35 1 0.81362300 0.18637700 0.88652600 1.0 O O36 1 0.40109300 0.01163800 0.14111800 1.0