data_[Cs6Pd2Br8]
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 [Pmn2_1]
_cell_length_a [12.4768]
_cell_length_b [7.6051]
_cell_length_c [7.3176]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Cs3PdBr4]
_chemical_formula_sum '[Cs6 Pd2 Br8]'
_cell_volume [694.3478]
_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  0.2471  0.6973  0.0133  1
  Cs  Cs1  2  0.0000  0.8896  0.6147  1
  Pd  Pd2  2  0.0000  0.1950  0.9806  1
  Br  Br3  4  0.2139  0.2136  0.0142  1
  Br  Br4  2  0.0000  0.4378  0.7270  1
  Br  Br5  2  0.0000  0.8886  0.1380  1
]