# generated using pymatgen data_Li2V3Cr2O12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.07939100 _cell_length_b 9.15262400 _cell_length_c 12.62142200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2V3Cr2O12 _chemical_formula_sum 'Li8 V12 Cr8 O48' _cell_volume 1048.84334844 _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 0.27259200 0.22157900 0.18872600 1.0 Li Li1 1 0.77259200 0.77842100 0.18872600 1.0 Li Li2 1 0.77259200 0.27842100 0.31127400 1.0 Li Li3 1 0.27259200 0.72157900 0.31127400 1.0 Li Li4 1 0.72740800 0.27842100 0.68872600 1.0 Li Li5 1 0.22740800 0.72157900 0.68872600 1.0 Li Li6 1 0.22740800 0.22157900 0.81127400 1.0 Li Li7 1 0.72740800 0.77842100 0.81127400 1.0 V V8 1 0.25000000 0.46640200 0.00000000 1.0 V V9 1 0.75000000 0.53359800 0.00000000 1.0 V V10 1 0.75000000 0.03359800 0.50000000 1.0 V V11 1 0.25000000 0.96640200 0.50000000 1.0 V V12 1 0.60472400 0.10244700 0.14197200 1.0 V V13 1 0.10472400 0.89755300 0.14197200 1.0 V V14 1 0.10472400 0.39755300 0.35802800 1.0 V V15 1 0.60472400 0.60244700 0.35802800 1.0 V V16 1 0.39527600 0.39755300 0.64197200 1.0 V V17 1 0.89527600 0.60244700 0.64197200 1.0 V V18 1 0.89527600 0.10244700 0.85802800 1.0 V V19 1 0.39527600 0.89755300 0.85802800 1.0 Cr Cr20 1 0.96921400 0.25229300 0.12081900 1.0 Cr Cr21 1 0.46921400 0.74770700 0.12081900 1.0 Cr Cr22 1 0.96921400 0.75229300 0.37918100 1.0 Cr Cr23 1 0.46921400 0.24770700 0.37918100 1.0 Cr Cr24 1 0.03078600 0.24770700 0.62081900 1.0 Cr Cr25 1 0.53078600 0.75229300 0.62081900 1.0 Cr Cr26 1 0.53078600 0.25229300 0.87918100 1.0 Cr Cr27 1 0.03078600 0.74770700 0.87918100 1.0 O O28 1 0.55383200 0.15737500 0.01776600 1.0 O O29 1 0.05383200 0.84262500 0.01776600 1.0 O O30 1 0.36844300 0.57364600 0.07258700 1.0 O O31 1 0.86844300 0.42635400 0.07258700 1.0 O O32 1 0.15850100 0.35103900 0.08975400 1.0 O O33 1 0.65850100 0.64896100 0.08975400 1.0 O O34 1 0.10047900 0.08859600 0.15947000 1.0 O O35 1 0.60047900 0.91140400 0.15947000 1.0 O O36 1 0.78077100 0.16262600 0.17209400 1.0 O O37 1 0.28077100 0.83737400 0.17209400 1.0 O O38 1 0.97653800 0.82217300 0.23082200 1.0 O O39 1 0.47653800 0.17782700 0.23082200 1.0 O O40 1 0.97653800 0.32217300 0.26917800 1.0 O O41 1 0.47653800 0.67782700 0.26917800 1.0 O O42 1 0.78077100 0.66262600 0.32790600 1.0 O O43 1 0.28077100 0.33737400 0.32790600 1.0 O O44 1 0.60047900 0.41140400 0.34053000 1.0 O O45 1 0.10047900 0.58859600 0.34053000 1.0 O O46 1 0.65850100 0.14896100 0.41024600 1.0 O O47 1 0.15850100 0.85103900 0.41024600 1.0 O O48 1 0.36844300 0.07364600 0.42741300 1.0 O O49 1 0.86844300 0.92635400 0.42741300 1.0 O O50 1 0.55383200 0.65737500 0.48223400 1.0 O O51 1 0.05383200 0.34262500 0.48223400 1.0 O O52 1 0.44616800 0.34262500 0.51776600 1.0 O O53 1 0.94616800 0.65737500 0.51776600 1.0 O O54 1 0.13155700 0.07364600 0.57258700 1.0 O O55 1 0.63155700 0.92635400 0.57258700 1.0 O O56 1 0.84149900 0.14896100 0.58975400 1.0 O O57 1 0.34149900 0.85103900 0.58975400 1.0 O O58 1 0.89952100 0.41140400 0.65947000 1.0 O O59 1 0.39952100 0.58859600 0.65947000 1.0 O O60 1 0.21922900 0.33737400 0.67209400 1.0 O O61 1 0.71922900 0.66262600 0.67209400 1.0 O O62 1 0.52346200 0.32217300 0.73082200 1.0 O O63 1 0.02346200 0.67782700 0.73082200 1.0 O O64 1 0.02346200 0.17782700 0.76917800 1.0 O O65 1 0.52346200 0.82217300 0.76917800 1.0 O O66 1 0.71922900 0.16262600 0.82790600 1.0 O O67 1 0.21922900 0.83737400 0.82790600 1.0 O O68 1 0.39952100 0.08859600 0.84053000 1.0 O O69 1 0.89952100 0.91140400 0.84053000 1.0 O O70 1 0.34149900 0.35103900 0.91024600 1.0 O O71 1 0.84149900 0.64896100 0.91024600 1.0 O O72 1 0.63155700 0.42635400 0.92741300 1.0 O O73 1 0.13155700 0.57364600 0.92741300 1.0 O O74 1 0.94616800 0.15737500 0.98223400 1.0 O O75 1 0.44616800 0.84262500 0.98223400 1.0