data_[Y4Au4S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Au  2.5400  1.3500  1.0700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.2117]
_cell_length_b [4.1341]
_cell_length_c [7.2382]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.2442]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [YAuS2]
_chemical_formula_sum '[Y4 Au4 S8]'
_cell_volume [410.2979]
_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
[
  Y  Y0  4  0.2500  0.2500  0.0000  1.0
  Au  Au1  4  0.0000  0.0000  0.0000  1.0
  S  S2  8  0.1500  0.2489  0.6191  1.0
]