# generated using pymatgen data_VCu13As3S16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.62156200 _cell_length_b 10.62156200 _cell_length_c 10.62156200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VCu13As3S16 _chemical_formula_sum 'V2 Cu26 As6 S32' _cell_volume 1198.29891344 _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 V V0 1 0.50000000 0.50000000 0.50000000 1.0 V V1 1 0.00000000 0.00000000 0.00000000 1.0 Cu Cu2 1 0.50000000 0.50000000 0.24308100 1.0 Cu Cu3 1 0.50000000 0.75691900 0.50000000 1.0 Cu Cu4 1 0.24308100 0.50000000 0.50000000 1.0 Cu Cu5 1 0.50000000 0.24308100 0.50000000 1.0 Cu Cu6 1 0.75691900 0.50000000 0.50000000 1.0 Cu Cu7 1 0.50000000 0.50000000 0.75691900 1.0 Cu Cu8 1 0.00000000 0.74308100 0.00000000 1.0 Cu Cu9 1 0.00000000 0.00000000 0.25691900 1.0 Cu Cu10 1 0.74308100 0.00000000 0.00000000 1.0 Cu Cu11 1 0.00000000 0.00000000 0.74308100 1.0 Cu Cu12 1 0.25691900 0.00000000 0.00000000 1.0 Cu Cu13 1 0.00000000 0.25691900 0.00000000 1.0 Cu Cu14 1 0.24967300 0.75032700 0.24967300 1.0 Cu Cu15 1 0.75032700 0.24967300 0.24967300 1.0 Cu Cu16 1 0.24967300 0.24967300 0.75032700 1.0 Cu Cu17 1 0.75032700 0.75032700 0.75032700 1.0 Cu Cu18 1 0.74967300 0.74967300 0.25032700 1.0 Cu Cu19 1 0.25032700 0.74967300 0.74967300 1.0 Cu Cu20 1 0.74967300 0.25032700 0.74967300 1.0 Cu Cu21 1 0.25032700 0.25032700 0.25032700 1.0 Cu Cu22 1 0.00000000 0.50000000 0.25000000 1.0 Cu Cu23 1 0.50000000 0.75000000 0.00000000 1.0 Cu Cu24 1 0.25000000 0.00000000 0.50000000 1.0 Cu Cu25 1 0.50000000 0.25000000 0.00000000 1.0 Cu Cu26 1 0.75000000 0.00000000 0.50000000 1.0 Cu Cu27 1 0.00000000 0.50000000 0.75000000 1.0 As As28 1 0.50000000 0.00000000 0.25000000 1.0 As As29 1 0.00000000 0.75000000 0.50000000 1.0 As As30 1 0.25000000 0.50000000 0.00000000 1.0 As As31 1 0.00000000 0.25000000 0.50000000 1.0 As As32 1 0.75000000 0.50000000 0.00000000 1.0 As As33 1 0.50000000 0.00000000 0.75000000 1.0 S S34 1 0.37921300 0.62078700 0.37921300 1.0 S S35 1 0.62078700 0.37921300 0.37921300 1.0 S S36 1 0.37921300 0.37921300 0.62078700 1.0 S S37 1 0.62078700 0.62078700 0.62078700 1.0 S S38 1 0.87921300 0.87921300 0.12078700 1.0 S S39 1 0.12078700 0.87921300 0.87921300 1.0 S S40 1 0.87921300 0.12078700 0.87921300 1.0 S S41 1 0.12078700 0.12078700 0.12078700 1.0 S S42 1 0.37530500 0.87095500 0.12641200 1.0 S S43 1 0.12904500 0.87358800 0.37530500 1.0 S S44 1 0.12641200 0.62469500 0.12904500 1.0 S S45 1 0.62469500 0.12904500 0.12641200 1.0 S S46 1 0.87095500 0.12641200 0.37530500 1.0 S S47 1 0.87358800 0.37530500 0.12904500 1.0 S S48 1 0.37530500 0.12904500 0.87358800 1.0 S S49 1 0.12904500 0.12641200 0.62469500 1.0 S S50 1 0.12641200 0.37530500 0.87095500 1.0 S S51 1 0.62469500 0.87095500 0.87358800 1.0 S S52 1 0.87095500 0.87358800 0.62469500 1.0 S S53 1 0.87358800 0.62469500 0.87095500 1.0 S S54 1 0.87530500 0.62641200 0.37095500 1.0 S S55 1 0.62904500 0.87530500 0.37358800 1.0 S S56 1 0.62641200 0.62904500 0.12469500 1.0 S S57 1 0.12469500 0.62641200 0.62904500 1.0 S S58 1 0.37095500 0.87530500 0.62641200 1.0 S S59 1 0.37358800 0.62904500 0.87530500 1.0 S S60 1 0.87530500 0.37358800 0.62904500 1.0 S S61 1 0.62904500 0.12469500 0.62641200 1.0 S S62 1 0.62641200 0.37095500 0.87530500 1.0 S S63 1 0.12469500 0.37358800 0.37095500 1.0 S S64 1 0.37095500 0.12469500 0.37358800 1.0 S S65 1 0.37358800 0.37095500 0.12469500 1.0