data_[In4Cu2Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Cu  1.9000  1.3500  0.8200
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.2737]
_cell_length_b [9.4901]
_cell_length_c [6.8596]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.4648]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [In2CuCl8]
_chemical_formula_sum '[In4 Cu2 Cl16]'
_cell_volume [798.9740]
_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
[
  In  In0  4  0.2191  0.0000  0.3217  1.0
  Cu  Cu1  2  0.0000  0.0000  0.0000  1.0
  Cl  Cl2  8  0.0997  0.1739  0.1543  1.0
  Cl  Cl3  4  0.1016  0.5000  0.7833  1.0
  Cl  Cl4  4  0.1894  0.0000  0.6604  1.0
]