data_[Ba18Pt6Rh3Br3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Pt  2.2800  1.3500  0.8050
  Rh  2.2800  1.3500  0.7450
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.9624]
_cell_length_b [7.9624]
_cell_length_c [22.7946]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Ba6Pt2RhBr]
_chemical_formula_sum '[Ba18 Pt6 Rh3 Br3]'
_cell_volume [1251.5562]
_cell_formula_units_Z [3]
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  9  0.0019  0.3340  0.7451  1
  Ba  Ba1  9  0.0166  0.6427  0.2533  1
  Pt  Pt2  3  0.0000  0.0000  0.4933  1
  Rh  Rh3  3  0.0000  0.0000  0.6722  1
  Pt  Pt4  3  0.0000  0.0000  0.9971  1
  Br  Br5  3  0.0000  0.0000  0.1792  1
]