# generated using pymatgen data_LiVCuO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.09524400 _cell_length_b 6.09524400 _cell_length_c 7.79678400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiVCuO4 _chemical_formula_sum 'Li4 V4 Cu4 O16' _cell_volume 289.66611464 _cell_formula_units_Z 4 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 0.73678100 0.00000000 1.0 Li Li1 1 0.50000000 0.26321900 0.50000000 1.0 Li Li2 1 0.73678100 0.50000000 0.25000000 1.0 Li Li3 1 0.26321900 0.50000000 0.75000000 1.0 V V4 1 0.71650900 0.00000000 0.25000000 1.0 V V5 1 0.00000000 0.71650900 0.00000000 1.0 V V6 1 0.00000000 0.28349100 0.50000000 1.0 V V7 1 0.28349100 0.00000000 0.75000000 1.0 Cu Cu8 1 0.75943900 0.75943900 0.62500000 1.0 Cu Cu9 1 0.75943900 0.24056100 0.87500000 1.0 Cu Cu10 1 0.24056100 0.75943900 0.37500000 1.0 Cu Cu11 1 0.24056100 0.24056100 0.12500000 1.0 O O12 1 0.53360300 0.77494400 0.26771400 1.0 O O13 1 0.53360300 0.22505600 0.23228600 1.0 O O14 1 0.77494400 0.53360300 0.98228600 1.0 O O15 1 0.77494400 0.46639700 0.51771400 1.0 O O16 1 0.76986400 0.97269000 0.01067100 1.0 O O17 1 0.76986400 0.02731000 0.48932900 1.0 O O18 1 0.97269000 0.76986400 0.23932900 1.0 O O19 1 0.97269000 0.23013600 0.26067100 1.0 O O20 1 0.02731000 0.76986400 0.76067100 1.0 O O21 1 0.02731000 0.23013600 0.73932900 1.0 O O22 1 0.23013600 0.02731000 0.51067100 1.0 O O23 1 0.23013600 0.97269000 0.98932900 1.0 O O24 1 0.22505600 0.53360300 0.01771400 1.0 O O25 1 0.22505600 0.46639700 0.48228600 1.0 O O26 1 0.46639700 0.77494400 0.73228600 1.0 O O27 1 0.46639700 0.22505600 0.76771400 1.0