data_[Ba14Tl2Rh4Br4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Tl  1.6200  1.9000  1.3325
  Rh  2.2800  1.3500  0.7450
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [6.1258]
_cell_length_b [29.5687]
_cell_length_c [6.1268]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Ba7Tl(RhBr)2]
_chemical_formula_sum '[Ba14 Tl2 Rh4 Br4]'
_cell_volume [1109.7521]
_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  0.0000  0.0858  0.4985  1
  Ba  Ba1  4  0.0000  0.2956  0.0013  1
  Ba  Ba2  4  0.0000  0.4142  0.5005  1
  Ba  Ba3  2  0.0000  0.5000  0.0031  1
  Tl  Tl4  2  0.0000  0.0000  0.9937  1
  Rh  Rh5  4  0.0000  0.3934  0.9996  1
  Br  Br6  4  0.0000  0.2500  0.5011  1
]