data_[Cu8I2Cl10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Pmmn]
_cell_length_a [7.1208]
_cell_length_b [10.7882]
_cell_length_c [6.1062]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Cu4ICl5]
_chemical_formula_sum '[Cu8 I2 Cl10]'
_cell_volume [469.0821]
_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
[
  Cu  Cu0  4  0.0000  0.2274  0.9753  1.0
  Cu  Cu1  4  0.2268  0.5000  0.5594  1.0
  I  I2  2  0.0000  0.0000  0.7108  1.0
  Cl  Cl3  8  0.2480  0.3315  0.7912  1.0
  Cl  Cl4  2  0.0000  0.5000  0.3100  1.0
]