data_[Ba8Pd1Rh1Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Pd  2.2000  1.4000  0.8462
  Rh  2.2800  1.3500  0.7450
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.8927]
_cell_length_b [9.1733]
_cell_length_c [8.1279]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.1074]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ba8PdRhBr2]
_chemical_formula_sum '[Ba8 Pd1 Rh1 Br2]'
_cell_volume [588.3687]
_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  4  0.2280  0.2439  0.1558  1.0
  Ba  Ba1  2  0.2204  0.0000  0.6940  1.0
  Ba  Ba2  2  0.2274  0.5000  0.6845  1.0
  Pd  Pd3  1  0.0000  0.5000  0.0000  1.0
  Rh  Rh4  1  0.0000  0.0000  0.0000  1.0
  Br  Br5  2  0.5000  0.2495  0.5000  1.0
]