# generated using pymatgen data_LiVNiF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61416211 _cell_length_b 4.61416211 _cell_length_c 9.08997520 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiVNiF6 _chemical_formula_sum 'Li2 V2 Ni2 F12' _cell_volume 193.53004435 _cell_formula_units_Z 2 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 0.50000000 0.50000000 0.50037331 1.0 Li Li1 1 0.00000000 0.00000000 0.00037331 1.0 V V2 1 0.50000000 0.50000000 0.83300771 1.0 V V3 1 0.00000000 0.00000000 0.33300771 1.0 Ni Ni4 1 0.50000000 0.50000000 0.16731265 1.0 Ni Ni5 1 0.00000000 0.00000000 0.66731265 1.0 F F6 1 0.19612808 0.80387192 0.49667617 1.0 F F7 1 0.80387192 0.19612808 0.49667617 1.0 F F8 1 0.30387192 0.30387192 0.99667617 1.0 F F9 1 0.69612808 0.69612808 0.99667617 1.0 F F10 1 0.19652949 0.80347051 0.17045039 1.0 F F11 1 0.80347051 0.19652949 0.17045039 1.0 F F12 1 0.30347051 0.30347051 0.67045039 1.0 F F13 1 0.69652949 0.69652949 0.67045039 1.0 F F14 1 0.79622377 0.20377623 0.83252711 1.0 F F15 1 0.20377623 0.79622377 0.83252711 1.0 F F16 1 0.70377623 0.70377623 0.33252711 1.0 F F17 1 0.29622377 0.29622377 0.33252711 1.0