data_[Rb4Th4Au4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Th  1.3000  1.8000  1.0800
  Au  2.5400  1.3500  1.0700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.1847]
_cell_length_b [14.8516]
_cell_length_c [10.6339]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [RbThAuS3]
_chemical_formula_sum '[Rb4 Th4 Au4 S12]'
_cell_volume [660.8855]
_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
[
  Rb  Rb0  4  0.0000  0.2541  0.7500  1
  Th  Th1  4  0.0000  0.0000  0.0000  1
  Au  Au2  4  0.0000  0.4588  0.2500  1
  S  S3  8  0.0000  0.3771  0.0466  1
  S  S4  4  0.0000  0.0655  0.2500  1
]