# generated using pymatgen data_GaCu6WS8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.50143186 _cell_length_b 7.50143189 _cell_length_c 12.38287861 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999558 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaCu6WS8 _chemical_formula_sum 'Ga2 Cu12 W2 S16' _cell_volume 603.44904749 _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 Ga Ga0 1 0.00000000 0.00000000 0.85301981 1.0 Ga Ga1 1 0.00000000 0.00000000 0.35301981 1.0 Cu Cu2 1 0.83874730 0.67749659 0.10662285 1.0 Cu Cu3 1 0.50453412 0.49546588 0.35219558 1.0 Cu Cu4 1 0.00906823 0.50453412 0.85219558 1.0 Cu Cu5 1 0.83874730 0.16125270 0.10662285 1.0 Cu Cu6 1 0.49546588 0.50453412 0.85219558 1.0 Cu Cu7 1 0.16125270 0.32250341 0.60662285 1.0 Cu Cu8 1 0.50453412 0.00906823 0.35219558 1.0 Cu Cu9 1 0.99093177 0.49546588 0.35219558 1.0 Cu Cu10 1 0.16125270 0.83874730 0.60662285 1.0 Cu Cu11 1 0.49546588 0.99093177 0.85219558 1.0 Cu Cu12 1 0.67749659 0.83874730 0.60662285 1.0 Cu Cu13 1 0.32250341 0.16125270 0.10662285 1.0 W W14 1 0.33333300 0.66666700 0.48027284 1.0 W W15 1 0.66666700 0.33333300 0.98027284 1.0 S S16 1 0.00000000 0.00000000 0.03767328 1.0 S S17 1 0.33280348 0.16640174 0.28996406 1.0 S S18 1 0.83359826 0.16640174 0.28996406 1.0 S S19 1 0.00627785 0.50313993 0.54011237 1.0 S S20 1 0.83359826 0.66719652 0.28996406 1.0 S S21 1 0.66666700 0.33333300 0.79835146 1.0 S S22 1 0.16640174 0.33280348 0.78996406 1.0 S S23 1 0.49686007 0.50313993 0.54011237 1.0 S S24 1 0.00000000 0.00000000 0.53767328 1.0 S S25 1 0.33333300 0.66666700 0.29835146 1.0 S S26 1 0.99372215 0.49686007 0.04011237 1.0 S S27 1 0.49686007 0.99372215 0.54011237 1.0 S S28 1 0.16640174 0.83359826 0.78996406 1.0 S S29 1 0.66719652 0.83359826 0.78996406 1.0 S S30 1 0.50313993 0.00627785 0.04011237 1.0 S S31 1 0.50313993 0.49686007 0.04011237 1.0