# generated using pymatgen data_Sc(TaS2)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.67337294 _cell_length_b 6.67337220 _cell_length_c 12.96554503 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000861 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc(TaS2)4 _chemical_formula_sum 'Sc2 Ta8 S16' _cell_volume 500.04848506 _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 Sc Sc0 1 0.00000000 0.00000000 0.50000000 1.0 Sc Sc1 1 0.00000000 0.00000000 0.00000000 1.0 Ta Ta2 1 0.50556469 0.49443531 0.75000000 1.0 Ta Ta3 1 0.01112939 0.50556469 0.25000000 1.0 Ta Ta4 1 0.49443531 0.98887061 0.25000000 1.0 Ta Ta5 1 0.50556469 0.01112939 0.75000000 1.0 Ta Ta6 1 0.98887061 0.49443531 0.75000000 1.0 Ta Ta7 1 0.49443531 0.50556469 0.25000000 1.0 Ta Ta8 1 0.00000000 0.00000000 0.75000000 1.0 Ta Ta9 1 0.00000000 0.00000000 0.25000000 1.0 S S10 1 0.83187597 0.16812403 0.37009347 1.0 S S11 1 0.83187597 0.66375194 0.37009347 1.0 S S12 1 0.33624806 0.16812403 0.37009347 1.0 S S13 1 0.66375194 0.83187597 0.87009347 1.0 S S14 1 0.16812403 0.33624806 0.62990653 1.0 S S15 1 0.16812403 0.83187597 0.87009347 1.0 S S16 1 0.16812403 0.33624806 0.87009347 1.0 S S17 1 0.83187597 0.16812403 0.12990653 1.0 S S18 1 0.33624806 0.16812403 0.12990653 1.0 S S19 1 0.66375194 0.83187597 0.62990653 1.0 S S20 1 0.33333300 0.66666700 0.12759097 1.0 S S21 1 0.66666700 0.33333300 0.62759097 1.0 S S22 1 0.66666700 0.33333300 0.87240903 1.0 S S23 1 0.33333300 0.66666700 0.37240903 1.0 S S24 1 0.83187597 0.66375194 0.12990653 1.0 S S25 1 0.16812403 0.83187597 0.62990653 1.0