data_[Ba2Rh4Br2]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.8594]
_cell_length_b [3.9982]
_cell_length_c [6.0355]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.5090]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [BaRh2Br]
_chemical_formula_sum '[Ba2 Rh4 Br2]'
_cell_volume [194.5254]
_cell_formula_units_Z [2]
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  2  0.4794  0.0000  0.4777  1
  Rh  Rh1  2  0.0174  0.0000  0.0671  1
  Rh  Rh2  2  0.2035  0.5000  0.0832  1
  Br  Br3  2  0.2997  0.0000  0.8719  1
]