# generated using pymatgen data_VPO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.57129162 _cell_length_b 8.57129162 _cell_length_c 8.57129161 _cell_angle_alpha 60.42920505 _cell_angle_beta 60.42920505 _cell_angle_gamma 60.42921249 _symmetry_Int_Tables_number 1 _chemical_formula_structural VPO4 _chemical_formula_sum 'V6 P6 O24' _cell_volume 449.59152414 _cell_formula_units_Z 6 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 0.00000000 0.00000000 0.00000000 1.0 V V1 1 0.64349900 0.64349900 0.64349900 1.0 V V2 1 0.14349900 0.14349900 0.14349900 1.0 V V3 1 0.50000000 0.50000000 0.50000000 1.0 V V4 1 0.85650100 0.85650100 0.85650100 1.0 V V5 1 0.35650100 0.35650100 0.35650100 1.0 P P6 1 0.95712400 0.25000000 0.54287600 1.0 P P7 1 0.54287600 0.95712400 0.25000000 1.0 P P8 1 0.25000000 0.54287600 0.95712400 1.0 P P9 1 0.75000000 0.45712400 0.04287600 1.0 P P10 1 0.45712400 0.04287600 0.75000000 1.0 P P11 1 0.04287600 0.75000000 0.45712400 1.0 O O12 1 0.50264800 0.11290300 0.31659600 1.0 O O13 1 0.31659600 0.50264800 0.11290300 1.0 O O14 1 0.11290300 0.31659600 0.50264800 1.0 O O15 1 0.94051400 0.08857800 0.74019400 1.0 O O16 1 0.99735200 0.18340400 0.38709700 1.0 O O17 1 0.75980600 0.41142200 0.55948600 1.0 O O18 1 0.74019400 0.94051400 0.08857800 1.0 O O19 1 0.55948600 0.75980600 0.41142200 1.0 O O20 1 0.81659600 0.61290300 0.00264800 1.0 O O21 1 0.41142200 0.55948600 0.75980600 1.0 O O22 1 0.91142200 0.25980600 0.05948600 1.0 O O23 1 0.61290300 0.00264800 0.81659600 1.0 O O24 1 0.38709700 0.99735200 0.18340400 1.0 O O25 1 0.08857800 0.74019400 0.94051400 1.0 O O26 1 0.58857800 0.44051400 0.24019400 1.0 O O27 1 0.18340400 0.38709700 0.99735200 1.0 O O28 1 0.44051400 0.24019400 0.58857800 1.0 O O29 1 0.25980600 0.05948600 0.91142200 1.0 O O30 1 0.24019400 0.58857800 0.44051400 1.0 O O31 1 0.00264800 0.81659600 0.61290300 1.0 O O32 1 0.05948600 0.91142200 0.25980600 1.0 O O33 1 0.88709700 0.68340400 0.49735200 1.0 O O34 1 0.68340400 0.49735200 0.88709700 1.0 O O35 1 0.49735200 0.88709700 0.68340400 1.0