data_[Ba12Rh2Au4Br2]
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
  Au  2.5400  1.3500  1.0700
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.9384]
_cell_length_b [8.8068]
_cell_length_c [14.1551]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.5408]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ba6RhAu2Br]
_chemical_formula_sum '[Ba12 Rh2 Au4 Br2]'
_cell_volume [834.2500]
_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  0.0800  0.5538  0.2363  1.0
  Ba  Ba1  4  0.2342  0.1970  0.0777  1.0
  Ba  Ba2  4  0.3849  0.6662  0.0718  1.0
  Rh  Rh3  2  0.0000  0.0000  0.5000  1.0
  Au  Au4  4  0.3045  0.6103  0.7507  1.0
  Br  Br5  2  0.5000  0.0000  0.0000  1.0
]