# generated using pymatgen data_Li2V2CrO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.86487778 _cell_length_b 7.86487778 _cell_length_c 6.06224153 _cell_angle_alpha 78.38560373 _cell_angle_beta 78.38560373 _cell_angle_gamma 69.21926555 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2V2CrO6 _chemical_formula_sum 'Li6 V6 Cr3 O18' _cell_volume 339.94254758 _cell_formula_units_Z 3 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 0.66681800 0.00278500 0.33868600 1.0 Li Li1 1 0.00278500 0.66681800 0.33868600 1.0 Li Li2 1 0.67094000 0.32906000 0.00000000 1.0 Li Li3 1 0.32906000 0.67094000 0.00000000 1.0 Li Li4 1 0.99721500 0.33318200 0.66131400 1.0 Li Li5 1 0.33318200 0.99721500 0.66131400 1.0 V V6 1 0.33402300 0.33402300 0.82851600 1.0 V V7 1 0.66597700 0.66597700 0.17148400 1.0 V V8 1 0.67074300 0.99379700 0.83565900 1.0 V V9 1 0.99379700 0.67074300 0.83565900 1.0 V V10 1 0.00620300 0.32925700 0.16434100 1.0 V V11 1 0.32925700 0.00620300 0.16434100 1.0 Cr Cr12 1 0.66643500 0.33356500 0.50000000 1.0 Cr Cr13 1 0.00000000 0.00000000 0.50000000 1.0 Cr Cr14 1 0.33356500 0.66643500 0.50000000 1.0 O O15 1 0.51559200 0.51559200 0.25824500 1.0 O O16 1 0.50038100 0.83992100 0.94575500 1.0 O O17 1 0.83992100 0.50038100 0.94575500 1.0 O O18 1 0.48440800 0.48440800 0.74175500 1.0 O O19 1 0.49183600 0.83290200 0.38981400 1.0 O O20 1 0.83290200 0.49183600 0.38981400 1.0 O O21 1 0.49961900 0.16007900 0.05424500 1.0 O O22 1 0.81817800 0.81817800 0.08763200 1.0 O O23 1 0.16007900 0.49961900 0.05424500 1.0 O O24 1 0.50816400 0.16709800 0.61018600 1.0 O O25 1 0.84140100 0.84140100 0.60289200 1.0 O O26 1 0.16709800 0.50816400 0.61018600 1.0 O O27 1 0.83485500 0.17767800 0.27390900 1.0 O O28 1 0.17767800 0.83485500 0.27390900 1.0 O O29 1 0.18182200 0.18182200 0.91236800 1.0 O O30 1 0.82232200 0.16514500 0.72609100 1.0 O O31 1 0.16514500 0.82232200 0.72609100 1.0 O O32 1 0.15859900 0.15859900 0.39710800 1.0