data_[Ag2Pd2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [12.2879]
_cell_length_b [3.9617]
_cell_length_c [7.5319]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.8392]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [AgPdBr4]
_chemical_formula_sum '[Ag2 Pd2 Br8]'
_cell_volume [337.9128]
_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
[
  Ag  Ag0  2  0.0000  0.5000  0.5000  1.0
  Pd  Pd1  2  0.0000  0.0000  0.0000  1.0
  Br  Br2  4  0.1033  0.0000  0.3605  1.0
  Br  Br3  4  0.1391  0.5000  0.9837  1.0
]