data_[In4Cu2I6]
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 [Pnc2]
_cell_length_a [19.2007]
_cell_length_b [9.4136]
_cell_length_c [9.2745]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [30]
_chemical_formula_structural [In2CuI3]
_chemical_formula_sum '[In4 Cu2 I6]'
_cell_volume [1676.3505]
_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  0.0112  0.6913  0.9407  1
  Cu  Cu1  2  0.0000  0.0000  0.8210  1
  I  I2  4  0.1094  0.5997  0.2091  1
  I  I3  2  0.0000  0.0000  0.1045  1
]