data_[Ba2Ag2Pd2Br12]
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
  Pd  2.2000  1.4000  0.8462
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [7.5298]
_cell_length_b [11.9119]
_cell_length_c [6.8493]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.4571]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [BaAgPdBr6]
_chemical_formula_sum '[Ba2 Ag2 Pd2 Br12]'
_cell_volume [613.2225]
_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  2  0.0000  0.9941  0.5000  1.0
  Ag  Ag1  2  0.0000  0.6814  0.0000  1.0
  Pd  Pd2  2  0.0000  0.3312  0.0000  1.0
  Br  Br3  4  0.1296  0.4869  0.2137  1.0
  Br  Br4  4  0.1654  0.1879  0.2148  1.0
  Br  Br5  4  0.2117  0.8187  0.2345  1.0
]