data_[Ba4Rh4S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Rh  2.2800  1.3500  0.7450
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [11.0227]
_cell_length_b [4.0028]
_cell_length_c [6.9866]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [BaRhS]
_chemical_formula_sum '[Ba4 Rh4 S4]'
_cell_volume [308.2612]
_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  0.3027  0.0000  0.7965  1
  Rh  Rh1  2  0.0000  0.0000  0.3773  1
  Rh  Rh2  2  0.5000  0.0000  0.4639  1
  S  S3  4  0.1235  0.0000  0.1162  1
]