data_[Ba1Ag2Rh1Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ag  1.9300  1.6000  1.0867
  Rh  2.2800  1.3500  0.7450
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.5391]
_cell_length_b [6.9180]
_cell_length_c [8.9366]
_cell_angle_alpha [91.8812]
_cell_angle_beta [95.4737]
_cell_angle_gamma [109.1456]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BaAg2RhBr8]
_chemical_formula_sum '[Ba1 Ag2 Rh1 Br8]'
_cell_volume [379.2804]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1.0
  Ag  Ag1  2  0.0251  0.4980  0.2410  1.0
  Rh  Rh2  1  0.0000  0.0000  0.0000  1.0
  Br  Br3  2  0.2253  0.2434  0.8275  1.0
  Br  Br4  2  0.2282  0.7741  0.9818  1.0
  Br  Br5  2  0.2550  0.2166  0.2169  1.0
  Br  Br6  2  0.2830  0.6932  0.4846  1.0
]