data_[Cs1Cu2Pd1Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Cu  1.9000  1.3500  0.8200
  Pd  2.2000  1.4000  0.8462
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.0591]
_cell_length_b [6.0774]
_cell_length_c [10.4915]
_cell_angle_alpha [98.8222]
_cell_angle_beta [103.1278]
_cell_angle_gamma [106.1044]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsCu2PdCl8]
_chemical_formula_sum '[Cs1 Cu2 Pd1 Cl8]'
_cell_volume [351.6741]
_cell_formula_units_Z [1]
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  1  0.0000  0.5000  0.5000  1.0
  Cu  Cu1  2  0.4666  0.7040  0.1900  1.0
  Pd  Pd2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  2  0.1452  0.1419  0.8230  1.0
  Cl  Cl4  2  0.2481  0.7526  0.0008  1.0
  Cl  Cl5  2  0.3021  0.3057  0.1777  1.0
  Cl  Cl6  2  0.4215  0.2058  0.5904  1.0
]