data_[Cs4Pd4Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [7.7261]
_cell_length_b [12.5696]
_cell_length_c [7.8554]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.2317]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CsPdBr3]
_chemical_formula_sum '[Cs4 Pd4 Br12]'
_cell_volume [761.6545]
_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
[
  Cs  Cs0  4  0.0000  0.3468  0.7500  1
  Pd  Pd1  4  0.0000  0.0000  0.0000  1
  Br  Br2  8  0.2481  0.4022  0.3670  1
  Br  Br3  4  0.0000  0.1200  0.2500  1
]