data_[Ba4Rh1I1Br2]
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
  I  2.6600  1.4000  1.2733
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [8.4691]
_cell_length_b [4.6256]
_cell_length_c [8.7802]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8837]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ba4RhIBr2]
_chemical_formula_sum '[Ba4 Rh1 I1 Br2]'
_cell_volume [329.1373]
_cell_formula_units_Z [1]
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  0.2208  0.5000  0.2105  1.0
  Ba  Ba1  2  0.2220  0.0000  0.7920  1.0
  Rh  Rh2  1  0.0000  0.0000  0.0000  1.0
  I  I3  1  0.0000  0.5000  0.5000  1.0
  Br  Br4  1  0.5000  0.0000  0.5000  1.0
  Br  Br5  1  0.5000  0.5000  0.0000  1.0
]