# generated using pymatgen data_V5As3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.46394600 _cell_length_b 7.52161600 _cell_length_c 9.42947600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural V5As3 _chemical_formula_sum 'V20 As12' _cell_volume 458.45470784 _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 V V0 1 0.64979500 0.75000000 0.27838600 1.0 V V1 1 0.14979500 0.25000000 0.22161400 1.0 V V2 1 0.35020500 0.25000000 0.72161400 1.0 V V3 1 0.85020500 0.75000000 0.77838600 1.0 V V4 1 0.19876000 0.75000000 0.24760700 1.0 V V5 1 0.69876000 0.25000000 0.25239300 1.0 V V6 1 0.80124000 0.25000000 0.75239300 1.0 V V7 1 0.30124000 0.75000000 0.74760700 1.0 V V8 1 0.47159600 0.75000000 0.00955600 1.0 V V9 1 0.97159600 0.25000000 0.49044400 1.0 V V10 1 0.52840400 0.25000000 0.99044400 1.0 V V11 1 0.02840400 0.75000000 0.50955600 1.0 V V12 1 0.79499600 0.94138400 0.07681400 1.0 V V13 1 0.29499600 0.05861600 0.42318600 1.0 V V14 1 0.20500400 0.44138400 0.92318600 1.0 V V15 1 0.70500400 0.55861600 0.57681400 1.0 V V16 1 0.20500400 0.05861600 0.92318600 1.0 V V17 1 0.70500400 0.94138400 0.57681400 1.0 V V18 1 0.79499600 0.55861600 0.07681400 1.0 V V19 1 0.29499600 0.44138400 0.42318600 1.0 As As20 1 0.41742100 0.75000000 0.48919300 1.0 As As21 1 0.91742100 0.25000000 0.01080700 1.0 As As22 1 0.58257900 0.25000000 0.51080700 1.0 As As23 1 0.08257900 0.75000000 0.98919300 1.0 As As24 1 0.92603800 0.51527900 0.32853000 1.0 As As25 1 0.42603800 0.48472100 0.17147000 1.0 As As26 1 0.07396200 0.01527900 0.67147000 1.0 As As27 1 0.57396200 0.98472100 0.82853000 1.0 As As28 1 0.07396200 0.48472100 0.67147000 1.0 As As29 1 0.57396200 0.51527900 0.82853000 1.0 As As30 1 0.92603800 0.98472100 0.32853000 1.0 As As31 1 0.42603800 0.01527900 0.17147000 1.0