data_[Cd8In4Au4S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  In  1.7800  1.5500  0.9400
  Au  2.5400  1.3500  1.0700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Fmm2]
_cell_length_a [8.3040]
_cell_length_b [8.5127]
_cell_length_c [11.8129]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [42]
_chemical_formula_structural [Cd2InAuS4]
_chemical_formula_sum '[Cd8 In4 Au4 S16]'
_cell_volume [835.0490]
_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
[
  Cd  Cd0  8  0.2500  0.2500  0.2434  1.0
  In  In1  4  0.0000  0.0000  0.4711  1.0
  Au  Au2  4  0.0000  0.0000  0.0668  1.0
  S  S3  8  0.0000  0.2462  0.8709  1.0
  S  S4  8  0.2270  0.0000  0.6169  1.0
]