data_[Cd2Pd2Br10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Pd  2.2000  1.4000  0.8462
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [16.2629]
_cell_length_b [3.8073]
_cell_length_c [20.6564]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [CdPdBr5]
_chemical_formula_sum '[Cd2 Pd2 Br10]'
_cell_volume [1279.0008]
_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
[
  Cd  Cd0  2  0.2500  0.0000  0.0456  1
  Pd  Pd1  2  0.0000  0.5000  0.0000  1
  Br  Br2  4  0.0274  0.0000  0.0810  1
  Br  Br3  4  0.1547  0.5000  0.9661  1
  Br  Br4  2  0.2500  0.5000  0.1369  1
]