data_[Cs4Pd4Br14]
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/m]
_cell_length_a [10.2720]
_cell_length_b [16.4541]
_cell_length_c [4.8588]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.1027]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Pd2Br7]
_chemical_formula_sum '[Cs4 Pd4 Br14]'
_cell_volume [821.0647]
_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
[
  Cs  Cs0  4  0.0000  0.2171  0.5000  1.0
  Pd  Pd1  4  0.2431  0.5000  0.9862  1.0
  Br  Br2  8  0.2346  0.3489  0.9861  1.0
  Br  Br3  4  0.1721  0.5000  0.4832  1.0
  Br  Br4  2  0.0000  0.0000  0.0000  1.0
]