# generated using pymatgen data_Li2Ti3CrO8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.44214800 _cell_length_b 8.44214800 _cell_length_c 8.44214800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2Ti3CrO8 _chemical_formula_sum 'Li8 Ti12 Cr4 O32' _cell_volume 601.67073015 _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 0.00261500 0.00261500 0.00261500 1.0 Li Li1 1 0.24738500 0.24738500 0.24738500 1.0 Li Li2 1 0.25261500 0.75261500 0.74738500 1.0 Li Li3 1 0.49738500 0.99738500 0.50261500 1.0 Li Li4 1 0.50261500 0.49738500 0.99738500 1.0 Li Li5 1 0.74738500 0.25261500 0.75261500 1.0 Li Li6 1 0.75261500 0.74738500 0.25261500 1.0 Li Li7 1 0.99738500 0.50261500 0.49738500 1.0 Ti Ti8 1 0.12505700 0.12494300 0.62500000 1.0 Ti Ti9 1 0.12500000 0.37494300 0.87505700 1.0 Ti Ti10 1 0.12494300 0.62500000 0.12505700 1.0 Ti Ti11 1 0.37505700 0.37500000 0.62505700 1.0 Ti Ti12 1 0.37500000 0.62505700 0.37505700 1.0 Ti Ti13 1 0.37494300 0.87505700 0.12500000 1.0 Ti Ti14 1 0.62505700 0.37505700 0.37500000 1.0 Ti Ti15 1 0.62500000 0.12505700 0.12494300 1.0 Ti Ti16 1 0.62494300 0.87500000 0.87494300 1.0 Ti Ti17 1 0.87505700 0.12500000 0.37494300 1.0 Ti Ti18 1 0.87500000 0.87494300 0.62494300 1.0 Ti Ti19 1 0.87494300 0.62494300 0.87500000 1.0 Cr Cr20 1 0.12500000 0.87500000 0.37500000 1.0 Cr Cr21 1 0.37500000 0.12500000 0.87500000 1.0 Cr Cr22 1 0.62500000 0.62500000 0.62500000 1.0 Cr Cr23 1 0.87500000 0.37500000 0.12500000 1.0 O O24 1 0.11118800 0.11415500 0.38819500 1.0 O O25 1 0.11180500 0.88881200 0.61415500 1.0 O O26 1 0.11295100 0.61295100 0.88704900 1.0 O O27 1 0.13584500 0.13881200 0.86180500 1.0 O O28 1 0.11415500 0.38819500 0.11118800 1.0 O O29 1 0.13704900 0.36295100 0.63704900 1.0 O O30 1 0.13819500 0.63584500 0.36118800 1.0 O O31 1 0.13881200 0.86180500 0.13584500 1.0 O O32 1 0.36118800 0.13819500 0.63584500 1.0 O O33 1 0.36180500 0.36415500 0.86118800 1.0 O O34 1 0.36295100 0.63704900 0.13704900 1.0 O O35 1 0.38584500 0.61180500 0.61118800 1.0 O O36 1 0.36415500 0.86118800 0.36180500 1.0 O O37 1 0.38704900 0.38704900 0.38704900 1.0 O O38 1 0.38819500 0.11118800 0.11415500 1.0 O O39 1 0.38881200 0.88584500 0.88819500 1.0 O O40 1 0.61118800 0.38584500 0.61180500 1.0 O O41 1 0.61180500 0.61118800 0.38584500 1.0 O O42 1 0.61295100 0.88704900 0.11295100 1.0 O O43 1 0.63584500 0.36118800 0.13819500 1.0 O O44 1 0.61415500 0.11180500 0.88881200 1.0 O O45 1 0.63704900 0.13704900 0.36295100 1.0 O O46 1 0.63819500 0.86415500 0.63881200 1.0 O O47 1 0.63881200 0.63819500 0.86415500 1.0 O O48 1 0.86118800 0.36180500 0.36415500 1.0 O O49 1 0.86180500 0.13584500 0.13881200 1.0 O O50 1 0.86295100 0.86295100 0.86295100 1.0 O O51 1 0.88584500 0.88819500 0.38881200 1.0 O O52 1 0.86415500 0.63881200 0.63819500 1.0 O O53 1 0.88704900 0.11295100 0.61295100 1.0 O O54 1 0.88819500 0.38881200 0.88584500 1.0 O O55 1 0.88881200 0.61415500 0.11180500 1.0