data_[Pd2Pt2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [P2_1/m]
_cell_length_a [16.8628]
_cell_length_b [3.6102]
_cell_length_c [18.5214]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [PdPtBr4]
_chemical_formula_sum '[Pd2 Pt2 Br8]'
_cell_volume [1127.5509]
_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
[
  Pd  Pd0  2  0.1240  0.7500  0.4957  1
  Pt  Pt1  2  0.3738  0.2500  0.5028  1
  Br  Br2  2  0.1207  0.2500  0.5865  1
  Br  Br3  2  0.1270  0.2500  0.4049  1
  Br  Br4  2  0.3711  0.7500  0.5926  1
  Br  Br5  2  0.3762  0.7500  0.4130  1
]