data_[In2Cu4I10]
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 [Cm]
_cell_length_a [14.0722]
_cell_length_b [8.3940]
_cell_length_c [7.4067]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.7769]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [InCu2I5]
_chemical_formula_sum '[In2 Cu4 I10]'
_cell_volume [787.8379]
_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  2  0.0348  0.0000  0.0077  1
  Cu  Cu1  2  0.2015  0.5000  0.2334  1
  Cu  Cu2  2  0.4151  0.5000  0.4436  1
  I  I3  4  0.1602  0.2298  0.3210  1
  I  I4  4  0.4830  0.2667  0.6928  1
  I  I5  2  0.3392  0.5000  0.0647  1
]