data_[Ba12Pd2Pt4Br6]
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
  Pt  2.2800  1.3500  0.8050
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.9363]
_cell_length_b [13.7443]
_cell_length_c [8.7426]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6062]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba6PdPt2Br3]
_chemical_formula_sum '[Ba12 Pd2 Pt4 Br6]'
_cell_volume [908.9590]
_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  8  0.2402  0.1690  0.2135  1
  Ba  Ba1  4  0.2333  0.5000  0.2136  1
  Pd  Pd2  2  0.0000  0.0000  0.0000  1
  Pt  Pt3  4  0.0000  0.3333  0.0000  1
  Br  Br4  4  0.0000  0.1659  0.5000  1
  Br  Br5  2  0.0000  0.5000  0.5000  1
]