data_[Ba12Ag2Pd4Br6]
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/m]
_cell_length_a [21.5739]
_cell_length_b [4.6265]
_cell_length_c [10.0446]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2996]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba6AgPd2Br3]
_chemical_formula_sum '[Ba12 Ag2 Pd4 Br6]'
_cell_volume [946.2361]
_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  0.0097  0.0000  0.2448  1
  Ba  Ba1  4  0.1645  0.5000  0.1071  1
  Ba  Ba2  4  0.1757  0.5000  0.5617  1
  Ag  Ag3  2  0.0000  0.5000  0.0000  1
  Pd  Pd4  4  0.1660  0.0000  0.3312  1
  Br  Br5  4  0.1660  0.0000  0.8313  1
  Br  Br6  2  0.0000  0.5000  0.5000  1
]