data_[Ba4U8Rh4S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  U  1.3800  1.7500  0.9913
  Rh  2.2800  1.3500  0.7450
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0350]
_cell_length_b [13.2444]
_cell_length_c [13.6198]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [BaU2RhS4]
_chemical_formula_sum '[Ba4 U8 Rh4 S16]'
_cell_volume [727.8650]
_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
[
  Ba  Ba0  4  0.0000  0.1090  0.7500  1
  U  U1  8  0.0000  0.3680  0.5634  1
  Rh  Rh2  4  0.0000  0.1618  0.2500  1
  S  S3  8  0.0000  0.2647  0.1075  1
  S  S4  4  0.0000  0.0000  0.0000  1
  S  S5  4  0.0000  0.4338  0.7500  1
]