# generated using pymatgen data_LiCr2O4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.97972200 _cell_length_b 4.75238630 _cell_length_c 4.73282735 _cell_angle_alpha 88.78215893 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCr2O4 _chemical_formula_sum 'Li1 Cr2 O4' _cell_volume 67.00543537 _cell_formula_units_Z 1 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 0.75013400 0.50000000 0.00000000 1.0 Cr Cr1 1 0.48895500 0.50000000 0.50000000 1.0 Cr Cr2 1 0.01102600 0.00000000 0.00000000 1.0 O O3 1 0.50246100 0.20561200 0.80156400 1.0 O O4 1 0.50246100 0.79438800 0.19843600 1.0 O O5 1 0.99748200 0.30934300 0.30246300 1.0 O O6 1 0.99748200 0.69065700 0.69753700 1.0