# generated using pymatgen data_V3Ni(PO4)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.76018424 _cell_length_b 8.76018424 _cell_length_c 8.76018419 _cell_angle_alpha 58.48845909 _cell_angle_beta 58.48845909 _cell_angle_gamma 58.48845454 _symmetry_Int_Tables_number 1 _chemical_formula_structural V3Ni(PO4)6 _chemical_formula_sum 'V3 Ni1 P6 O24' _cell_volume 458.92422239 _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 V V0 1 0.86059900 0.86059900 0.86059900 1.0 V V1 1 0.64105000 0.64105000 0.64105000 1.0 V V2 1 0.36084100 0.36084100 0.36084100 1.0 Ni Ni3 1 0.14180600 0.14180600 0.14180600 1.0 P P4 1 0.96782700 0.25033500 0.53098600 1.0 P P5 1 0.53098600 0.96782700 0.25033500 1.0 P P6 1 0.25033500 0.53098600 0.96782700 1.0 P P7 1 0.75077700 0.46782300 0.03242300 1.0 P P8 1 0.46782300 0.03242300 0.75077700 1.0 P P9 1 0.03242300 0.75077700 0.46782300 1.0 O O10 1 0.86191000 0.70833900 0.50678000 1.0 O O11 1 0.70833900 0.50678000 0.86191000 1.0 O O12 1 0.94172400 0.07070300 0.71468400 1.0 O O13 1 0.50678000 0.86191000 0.70833900 1.0 O O14 1 0.78356500 0.42229200 0.57646500 1.0 O O15 1 0.97622400 0.23805500 0.36199000 1.0 O O16 1 0.71468400 0.94172400 0.07070300 1.0 O O17 1 0.57646500 0.78356500 0.42229200 1.0 O O18 1 0.42229200 0.57646500 0.78356500 1.0 O O19 1 0.77620600 0.64420000 0.00471500 1.0 O O20 1 0.91973000 0.28739400 0.04967700 1.0 O O21 1 0.64420000 0.00471500 0.77620600 1.0 O O22 1 0.36199000 0.97622400 0.23805500 1.0 O O23 1 0.07070300 0.71468400 0.94172400 1.0 O O24 1 0.23805500 0.36199000 0.97622400 1.0 O O25 1 0.56873400 0.44386300 0.21484300 1.0 O O26 1 0.44386300 0.21484300 0.56873400 1.0 O O27 1 0.28739400 0.04967700 0.91973000 1.0 O O28 1 0.00471500 0.77620600 0.64420000 1.0 O O29 1 0.21484300 0.56873400 0.44386300 1.0 O O30 1 0.50428900 0.14340900 0.27574000 1.0 O O31 1 0.04967700 0.91973000 0.28739400 1.0 O O32 1 0.27574000 0.50428900 0.14340900 1.0 O O33 1 0.14340900 0.27574000 0.50428900 1.0