# generated using pymatgen data_LiCr2O5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.00049000 _cell_length_b 8.27818000 _cell_length_c 6.08500500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCr2O5 _chemical_formula_sum 'Li4 Cr8 O20' _cell_volume 403.00681618 _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 0.15483100 0.34137300 0.75000000 1.0 Li Li1 1 0.34516900 0.84137300 0.75000000 1.0 Li Li2 1 0.65483100 0.15862700 0.25000000 1.0 Li Li3 1 0.84516900 0.65862700 0.25000000 1.0 Cr Cr4 1 0.00000000 0.00000000 0.00000000 1.0 Cr Cr5 1 0.00000000 0.00000000 0.50000000 1.0 Cr Cr6 1 0.14545000 0.33369900 0.25000000 1.0 Cr Cr7 1 0.35455000 0.83369900 0.25000000 1.0 Cr Cr8 1 0.50000000 0.50000000 0.00000000 1.0 Cr Cr9 1 0.50000000 0.50000000 0.50000000 1.0 Cr Cr10 1 0.64545000 0.16630100 0.75000000 1.0 Cr Cr11 1 0.85455000 0.66630100 0.75000000 1.0 O O12 1 0.99226300 0.52287000 0.75000000 1.0 O O13 1 0.11797000 0.21684400 0.02263700 1.0 O O14 1 0.11797000 0.21684400 0.47736300 1.0 O O15 1 0.13224200 0.94596600 0.75000000 1.0 O O16 1 0.14966700 0.91120700 0.25000000 1.0 O O17 1 0.35033300 0.41120700 0.25000000 1.0 O O18 1 0.36775800 0.44596600 0.75000000 1.0 O O19 1 0.38203000 0.71684400 0.47736300 1.0 O O20 1 0.38203000 0.71684400 0.02263700 1.0 O O21 1 0.50773700 0.02287000 0.75000000 1.0 O O22 1 0.49226300 0.97713000 0.25000000 1.0 O O23 1 0.61797000 0.28315600 0.97736300 1.0 O O24 1 0.61797000 0.28315600 0.52263700 1.0 O O25 1 0.63224200 0.55403400 0.25000000 1.0 O O26 1 0.64966700 0.58879300 0.75000000 1.0 O O27 1 0.85033300 0.08879300 0.75000000 1.0 O O28 1 0.86775800 0.05403400 0.25000000 1.0 O O29 1 0.88203000 0.78315600 0.97736300 1.0 O O30 1 0.88203000 0.78315600 0.52263700 1.0 O O31 1 0.00773700 0.47713000 0.25000000 1.0