# generated using pymatgen data_YbScGaS4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.50255498 _cell_length_b 7.68824875 _cell_length_c 6.15994434 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YbScGaS4 _chemical_formula_sum 'Yb4 Sc4 Ga4 S16' _cell_volume 639.46999068 _cell_formula_units_Z 4 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 Yb Yb0 1 0.73646536 0.75000100 0.00481746 1.0 Yb Yb1 1 0.23646536 0.75000100 0.49518254 1.0 Yb Yb2 1 0.76353464 0.25000000 0.50481746 1.0 Yb Yb3 1 0.26353464 0.25000000 0.99518154 1.0 Sc Sc4 1 0.00000000 0.00000000 0.00000000 1.0 Sc Sc5 1 0.00000000 0.49999900 0.00000000 1.0 Sc Sc6 1 0.50000000 0.00000000 0.50000000 1.0 Sc Sc7 1 0.50000000 0.49999900 0.50000000 1.0 Ga Ga8 1 0.58215930 0.25000000 0.09555092 1.0 Ga Ga9 1 0.08215930 0.25000000 0.40444908 1.0 Ga Ga10 1 0.91784070 0.75000100 0.59555192 1.0 Ga Ga11 1 0.41784070 0.75000100 0.90444908 1.0 S S12 1 0.91699729 0.75000100 0.22995173 1.0 S S13 1 0.15445151 0.01463766 0.24623149 1.0 S S14 1 0.15445151 0.48536234 0.24623149 1.0 S S15 1 0.92922239 0.25000000 0.23543269 1.0 S S16 1 0.42922239 0.25000000 0.26456731 1.0 S S17 1 0.65445151 0.01463766 0.25376851 1.0 S S18 1 0.65445151 0.48536234 0.25376851 1.0 S S19 1 0.41699629 0.75000100 0.27004727 1.0 S S20 1 0.58300271 0.25000000 0.72995173 1.0 S S21 1 0.34554849 0.51463866 0.74623149 1.0 S S22 1 0.34554849 0.98536134 0.74623149 1.0 S S23 1 0.57077761 0.75000100 0.73543169 1.0 S S24 1 0.07077761 0.75000100 0.76456731 1.0 S S25 1 0.84554849 0.51463866 0.75376751 1.0 S S26 1 0.84554849 0.98536134 0.75376751 1.0 S S27 1 0.08300371 0.25000000 0.77004727 1.0