data_[Ba10Rh2Br10]
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 [15.5664]
_cell_length_b [6.6512]
_cell_length_c [9.4743]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8261]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba5RhBr5]
_chemical_formula_sum '[Ba10 Rh2 Br10]'
_cell_volume [933.8305]
_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  4  0.1383  0.0000  0.8444  1
  Ba  Ba1  4  0.1489  0.0000  0.3072  1
  Ba  Ba2  2  0.0000  0.5000  0.0000  1
  Rh  Rh3  2  0.0000  0.0000  0.0000  1
  Br  Br4  4  0.1810  0.5000  0.8471  1
  Br  Br5  4  0.1946  0.5000  0.3341  1
  Br  Br6  2  0.0000  0.0000  0.5000  1
]