data_[In4Cu8I24]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.5523]
_cell_length_b [15.3443]
_cell_length_c [7.2511]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.4287]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [In(CuI3)2]
_chemical_formula_sum '[In4 Cu8 I24]'
_cell_volume [1562.7485]
_cell_formula_units_Z [4]
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  0.0000  0.2130  0.7500  1
  Cu  Cu1  8  0.2158  0.4281  0.8694  1
  I  I2  8  0.1084  0.1093  0.0862  1
  I  I3  8  0.1104  0.3089  0.6060  1
  I  I4  8  0.1874  0.4235  0.1901  1
]