# generated using pymatgen data_ZrPaV12P7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.99654510 _cell_length_b 9.99654493 _cell_length_c 3.30466288 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00001363 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrPaV12P7 _chemical_formula_sum 'Zr1 Pa1 V12 P7' _cell_volume 285.99443756 _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 Zr Zr0 1 0.33333300 0.66666700 0.00000000 1.0 Pa Pa1 1 0.66666700 0.33333300 0.50000000 1.0 V V2 1 0.43697227 0.05015578 0.00000000 1.0 V V3 1 0.94984422 0.38681650 0.00000000 1.0 V V4 1 0.61318350 0.56302773 0.00000000 1.0 V V5 1 0.38194576 0.43142025 0.50000000 1.0 V V6 1 0.56857975 0.95052551 0.50000000 1.0 V V7 1 0.04947449 0.61805424 0.50000000 1.0 V V8 1 0.16256219 0.27691451 0.00000000 1.0 V V9 1 0.72308549 0.88564767 0.00000000 1.0 V V10 1 0.11435233 0.83743781 0.00000000 1.0 V V11 1 0.21176772 0.08139903 0.50000000 1.0 V V12 1 0.91860097 0.13036770 0.50000000 1.0 V V13 1 0.86963230 0.78823228 0.50000000 1.0 P P14 1 0.13373000 0.42908954 0.50000000 1.0 P P15 1 0.57091046 0.70463946 0.50000000 1.0 P P16 1 0.29536054 0.86627000 0.50000000 1.0 P P17 1 0.00000000 0.00000000 0.00000000 1.0 P P18 1 0.40771420 0.27533933 0.00000000 1.0 P P19 1 0.72466067 0.13237688 0.00000000 1.0 P P20 1 0.86762312 0.59228580 0.00000000 1.0