data_[Cu4Pd8Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Pd  2.2000  1.4000  0.8462
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.2371]
_cell_length_b [12.8240]
_cell_length_c [8.1285]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.9742]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cu(PdBr3)2]
_chemical_formula_sum '[Cu4 Pd8 Br24]'
_cell_volume [1164.9965]
_cell_formula_units_Z [4]
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
[
  Cu  Cu0  4  0.0000  0.2538  0.7500  1.0
  Pd  Pd1  8  0.2485  0.4998  0.2347  1.0
  Br  Br2  8  0.0942  0.3870  0.5872  1.0
  Br  Br3  8  0.1107  0.1213  0.6088  1.0
  Br  Br4  8  0.2476  0.1090  0.0158  1.0
]