# generated using pymatgen data_LiVF4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.97563000 _cell_length_b 11.17520700 _cell_length_c 15.46214300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiVF4 _chemical_formula_sum 'Li8 V8 F32' _cell_volume 686.95963791 _cell_formula_units_Z 8 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 Li Li0 1 0.51540700 0.50000000 0.14644400 1.0 Li Li1 1 0.00000000 0.75000000 0.25000000 1.0 Li Li2 1 0.00000000 0.25000000 0.25000000 1.0 Li Li3 1 0.48459300 0.00000000 0.35355600 1.0 Li Li4 1 0.48459300 0.00000000 0.64644400 1.0 Li Li5 1 0.00000000 0.25000000 0.75000000 1.0 Li Li6 1 0.00000000 0.75000000 0.75000000 1.0 Li Li7 1 0.51540700 0.50000000 0.85355600 1.0 V V8 1 0.78275000 0.26717500 0.00000000 1.0 V V9 1 0.78275000 0.73282500 0.00000000 1.0 V V10 1 0.73875900 0.00000000 0.16831800 1.0 V V11 1 0.26124100 0.50000000 0.33168200 1.0 V V12 1 0.21725000 0.76717500 0.50000000 1.0 V V13 1 0.21725000 0.23282500 0.50000000 1.0 V V14 1 0.26124100 0.50000000 0.66831800 1.0 V V15 1 0.73875900 0.00000000 0.83168200 1.0 F F16 1 0.28200600 0.26436300 0.00000000 1.0 F F17 1 0.28200600 0.73563700 0.00000000 1.0 F F18 1 0.77556000 0.13284600 0.08632200 1.0 F F19 1 0.77993300 0.37602600 0.09545500 1.0 F F20 1 0.77993300 0.62397400 0.09545500 1.0 F F21 1 0.77556000 0.86715400 0.08632200 1.0 F F22 1 0.23982100 0.00000000 0.17195800 1.0 F F23 1 0.71430600 0.11967600 0.26189800 1.0 F F24 1 0.71430600 0.88032400 0.26189800 1.0 F F25 1 0.28569400 0.38032400 0.23810200 1.0 F F26 1 0.28569400 0.61967600 0.23810200 1.0 F F27 1 0.76017900 0.50000000 0.32804200 1.0 F F28 1 0.22444000 0.63284600 0.41367800 1.0 F F29 1 0.22006700 0.12397400 0.40454500 1.0 F F30 1 0.22444000 0.36715400 0.41367800 1.0 F F31 1 0.22006700 0.87602600 0.40454500 1.0 F F32 1 0.71799400 0.76436300 0.50000000 1.0 F F33 1 0.71799400 0.23563700 0.50000000 1.0 F F34 1 0.22006700 0.12397400 0.59545500 1.0 F F35 1 0.22444000 0.36715400 0.58632200 1.0 F F36 1 0.22444000 0.63284600 0.58632200 1.0 F F37 1 0.22006700 0.87602600 0.59545500 1.0 F F38 1 0.76017900 0.50000000 0.67195800 1.0 F F39 1 0.28569400 0.38032400 0.76189800 1.0 F F40 1 0.28569400 0.61967600 0.76189800 1.0 F F41 1 0.71430600 0.11967600 0.73810200 1.0 F F42 1 0.71430600 0.88032400 0.73810200 1.0 F F43 1 0.23982100 0.00000000 0.82804200 1.0 F F44 1 0.77556000 0.13284600 0.91367800 1.0 F F45 1 0.77993300 0.37602600 0.90454500 1.0 F F46 1 0.77993300 0.62397400 0.90454500 1.0 F F47 1 0.77556000 0.86715400 0.91367800 1.0