# generated using pymatgen data_GaCu6WSe8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.84980354 _cell_length_b 7.84980358 _cell_length_c 12.96325660 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999576 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaCu6WSe8 _chemical_formula_sum 'Ga2 Cu12 W2 Se16' _cell_volume 691.77099056 _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 0.85300853 1.0 Ga Ga1 1 0.00000000 0.00000000 0.35300853 1.0 Cu Cu2 1 0.83543932 0.67087963 0.10422678 1.0 Cu Cu3 1 0.50099646 0.49900354 0.35483390 1.0 Cu Cu4 1 0.00199192 0.50099646 0.85483390 1.0 Cu Cu5 1 0.83543932 0.16456068 0.10422678 1.0 Cu Cu6 1 0.49900354 0.50099646 0.85483390 1.0 Cu Cu7 1 0.16456068 0.32912037 0.60422678 1.0 Cu Cu8 1 0.50099646 0.00199192 0.35483390 1.0 Cu Cu9 1 0.99800808 0.49900354 0.35483390 1.0 Cu Cu10 1 0.16456068 0.83543932 0.60422678 1.0 Cu Cu11 1 0.49900354 0.99800808 0.85483390 1.0 Cu Cu12 1 0.67087963 0.83543932 0.60422678 1.0 Cu Cu13 1 0.32912037 0.16456068 0.10422678 1.0 W W14 1 0.33333300 0.66666700 0.48010369 1.0 W W15 1 0.66666700 0.33333300 0.98010369 1.0 Se Se16 1 0.00000000 0.00000000 0.03979515 1.0 Se Se17 1 0.33632362 0.16816181 0.28943435 1.0 Se Se18 1 0.83183819 0.16816181 0.28943435 1.0 Se Se19 1 0.00110845 0.50055473 0.54078230 1.0 Se Se20 1 0.83183819 0.66367638 0.28943435 1.0 Se Se21 1 0.66666700 0.33333300 0.79526264 1.0 Se Se22 1 0.16816181 0.33632362 0.78943435 1.0 Se Se23 1 0.49944527 0.50055473 0.54078230 1.0 Se Se24 1 0.00000000 0.00000000 0.53979515 1.0 Se Se25 1 0.33333300 0.66666700 0.29526264 1.0 Se Se26 1 0.99889155 0.49944527 0.04078230 1.0 Se Se27 1 0.49944527 0.99889155 0.54078230 1.0 Se Se28 1 0.16816181 0.83183819 0.78943435 1.0 Se Se29 1 0.66367638 0.83183819 0.78943435 1.0 Se Se30 1 0.50055473 0.00110845 0.04078230 1.0 Se Se31 1 0.50055473 0.49944527 0.04078230 1.0