data_[Ba12Rh6Br4]
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 [C2/m]
_cell_length_a [7.9189]
_cell_length_b [13.7012]
_cell_length_c [8.5852]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1131]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba6Rh3Br2]
_chemical_formula_sum '[Ba12 Rh6 Br4]'
_cell_volume [885.3178]
_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  8  0.2313  0.1716  0.2071  1
  Ba  Ba1  4  0.2448  0.5000  0.2020  1
  Rh  Rh2  4  0.0000  0.3312  0.0000  1
  Rh  Rh3  2  0.0000  0.0000  0.0000  1
  Br  Br4  4  0.0000  0.1652  0.5000  1
]