# generated using pymatgen data_Ta4GeS8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.68217818 _cell_length_b 6.68217697 _cell_length_c 13.57932930 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000600 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta4GeS8 _chemical_formula_sum 'Ta8 Ge2 S16' _cell_volume 525.10354516 _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 Ta Ta0 1 0.50429461 0.49570539 0.75000000 1.0 Ta Ta1 1 0.00858922 0.50429461 0.25000000 1.0 Ta Ta2 1 0.49570539 0.99141078 0.25000000 1.0 Ta Ta3 1 0.50429461 0.00858922 0.75000000 1.0 Ta Ta4 1 0.99141078 0.49570539 0.75000000 1.0 Ta Ta5 1 0.49570539 0.50429461 0.25000000 1.0 Ta Ta6 1 0.00000000 0.00000000 0.75000000 1.0 Ta Ta7 1 0.00000000 0.00000000 0.25000000 1.0 Ge Ge8 1 0.00000000 0.00000000 0.50000000 1.0 Ge Ge9 1 0.00000000 0.00000000 0.00000000 1.0 S S10 1 0.83283820 0.16716180 0.36381931 1.0 S S11 1 0.83283820 0.66567741 0.36381931 1.0 S S12 1 0.33432259 0.16716180 0.36381931 1.0 S S13 1 0.66567741 0.83283820 0.86381931 1.0 S S14 1 0.16716180 0.33432259 0.63618069 1.0 S S15 1 0.16716180 0.83283820 0.86381931 1.0 S S16 1 0.16716180 0.33432259 0.86381931 1.0 S S17 1 0.83283820 0.16716180 0.13618069 1.0 S S18 1 0.33432259 0.16716180 0.13618069 1.0 S S19 1 0.66567741 0.83283820 0.63618069 1.0 S S20 1 0.33333300 0.66666700 0.13434213 1.0 S S21 1 0.66666700 0.33333300 0.63434213 1.0 S S22 1 0.66666700 0.33333300 0.86565787 1.0 S S23 1 0.33333300 0.66666700 0.36565787 1.0 S S24 1 0.83283820 0.66567741 0.13618069 1.0 S S25 1 0.16716180 0.83283820 0.63618069 1.0