# generated using pymatgen data_LiV2(SO4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.78555627 _cell_length_b 8.78555627 _cell_length_c 8.78555583 _cell_angle_alpha 59.48413906 _cell_angle_beta 59.48413906 _cell_angle_gamma 59.48413586 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiV2(SO4)3 _chemical_formula_sum 'Li2 V4 S6 O24' _cell_volume 473.87846557 _cell_formula_units_Z 2 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 0.50000000 0.50000000 1.0 Li Li1 1 0.00000000 0.00000000 0.00000000 1.0 V V2 1 0.85717400 0.85717400 0.85717400 1.0 V V3 1 0.64282600 0.64282600 0.64282600 1.0 V V4 1 0.14282600 0.14282600 0.14282600 1.0 V V5 1 0.35717400 0.35717400 0.35717400 1.0 S S6 1 0.25000000 0.54402500 0.95597500 1.0 S S7 1 0.45597500 0.04402500 0.75000000 1.0 S S8 1 0.04402500 0.75000000 0.45597500 1.0 S S9 1 0.95597500 0.25000000 0.54402500 1.0 S S10 1 0.54402500 0.95597500 0.25000000 1.0 S S11 1 0.75000000 0.45597500 0.04402500 1.0 O O12 1 0.40727800 0.55943700 0.77186100 1.0 O O13 1 0.22813900 0.59272200 0.44056300 1.0 O O14 1 0.39495600 0.99301700 0.19191300 1.0 O O15 1 0.50698300 0.10504400 0.30808700 1.0 O O16 1 0.09272200 0.72813900 0.94056300 1.0 O O17 1 0.27186100 0.05943700 0.90727800 1.0 O O18 1 0.44056300 0.22813900 0.59272200 1.0 O O19 1 0.69191300 0.49301700 0.89495600 1.0 O O20 1 0.00698300 0.80808700 0.60504400 1.0 O O21 1 0.80808700 0.60504400 0.00698300 1.0 O O22 1 0.89495600 0.69191300 0.49301700 1.0 O O23 1 0.05943700 0.90727800 0.27186100 1.0 O O24 1 0.94056300 0.09272200 0.72813900 1.0 O O25 1 0.19191300 0.39495600 0.99301700 1.0 O O26 1 0.10504400 0.30808700 0.50698300 1.0 O O27 1 0.30808700 0.50698300 0.10504400 1.0 O O28 1 0.99301700 0.19191300 0.39495600 1.0 O O29 1 0.55943700 0.77186100 0.40727800 1.0 O O30 1 0.72813900 0.94056300 0.09272200 1.0 O O31 1 0.90727800 0.27186100 0.05943700 1.0 O O32 1 0.60504400 0.00698300 0.80808700 1.0 O O33 1 0.49301700 0.89495600 0.69191300 1.0 O O34 1 0.77186100 0.40727800 0.55943700 1.0 O O35 1 0.59272200 0.44056300 0.22813900 1.0