# generated using pymatgen data_Li4VCr3O8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.15659600 _cell_length_b 5.96221625 _cell_length_c 10.71702966 _cell_angle_alpha 105.90492066 _cell_angle_beta 94.61416383 _cell_angle_gamma 107.03158305 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li4VCr3O8 _chemical_formula_sum 'Li8 V2 Cr6 O16' _cell_volume 298.31807233 _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 0.00000000 0.00000000 0.00000000 1.0 Li Li1 1 0.50261700 0.62712900 0.74862000 1.0 Li Li2 1 0.49738300 0.37287100 0.25138000 1.0 Li Li3 1 0.99943300 0.74884500 0.50052500 1.0 Li Li4 1 0.00000000 0.50000000 0.00000000 1.0 Li Li5 1 0.49876600 0.12413500 0.74926600 1.0 Li Li6 1 0.50123400 0.87586500 0.25073400 1.0 Li Li7 1 0.00056700 0.25115500 0.49947500 1.0 V V8 1 0.74779800 0.30864800 0.87598000 1.0 V V9 1 0.25220200 0.69135200 0.12402000 1.0 Cr Cr10 1 0.75004500 0.06350600 0.37514700 1.0 Cr Cr11 1 0.75043200 0.81035400 0.87447400 1.0 Cr Cr12 1 0.24995000 0.43615000 0.62502200 1.0 Cr Cr13 1 0.24956800 0.18964600 0.12552600 1.0 Cr Cr14 1 0.75005000 0.56385000 0.37497800 1.0 Cr Cr15 1 0.24995500 0.93649400 0.62485300 1.0 O O16 1 0.39712400 0.15961000 0.43942000 1.0 O O17 1 0.10357900 0.46750200 0.31078600 1.0 O O18 1 0.39401400 0.90639000 0.93816000 1.0 O O19 1 0.10645500 0.21209100 0.80991400 1.0 O O20 1 0.60287600 0.84039000 0.56058000 1.0 O O21 1 0.89642100 0.53249800 0.68921400 1.0 O O22 1 0.89627600 0.28525900 0.18987900 1.0 O O23 1 0.60955800 0.59290500 0.05878600 1.0 O O24 1 0.39679800 0.65972100 0.43967400 1.0 O O25 1 0.10272900 0.96733200 0.31104600 1.0 O O26 1 0.39044200 0.40709500 0.94121400 1.0 O O27 1 0.10372400 0.71474100 0.81012100 1.0 O O28 1 0.89727100 0.03266800 0.68895400 1.0 O O29 1 0.89354500 0.78790900 0.19008600 1.0 O O30 1 0.60320200 0.34027900 0.56032600 1.0 O O31 1 0.60598600 0.09361000 0.06184000 1.0