data_[Ba16Rh4Au8Br4]
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 [Imma]
_cell_length_a [9.4239]
_cell_length_b [9.5558]
_cell_length_c [13.3454]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [Ba4RhAu2Br]
_chemical_formula_sum '[Ba16 Rh4 Au8 Br4]'
_cell_volume [1201.7923]
_cell_formula_units_Z [4]
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  0.0000  0.0075  0.7330  1.0
  Ba  Ba1  8  0.2326  0.2500  0.5022  1.0
  Rh  Rh2  4  0.0000  0.0000  0.5000  1.0
  Au  Au3  4  0.0000  0.0000  0.0000  1.0
  Au  Au4  4  0.2500  0.2500  0.7500  1.0
  Br  Br5  4  0.2500  0.2500  0.2500  1.0
]