data_[Cs1Cu1I2Cl6]
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
  I  2.6600  1.4000  1.2733
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.6253]
_cell_length_b [8.2369]
_cell_length_c [8.9972]
_cell_angle_alpha [108.8882]
_cell_angle_beta [91.0733]
_cell_angle_gamma [96.0249]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsCu(ICl3)2]
_chemical_formula_sum '[Cs1 Cu1 I2 Cl6]'
_cell_volume [391.6384]
_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
  Cu  Cu1  1  0.5000  0.0000  0.5000  1
  I  I2  2  0.0689  0.1671  0.8938  1
  Cl  Cl3  2  0.1818  0.6572  0.9155  1
  Cl  Cl4  2  0.3101  0.9350  0.6979  1
  Cl  Cl5  2  0.4559  0.2749  0.6010  1
]