data_[In4Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [18.6825]
_cell_length_b [3.9671]
_cell_length_c [18.6825]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [InCl]
_chemical_formula_sum '[In4 Cl4]'
_cell_volume [1199.1548]
_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  1  0.1129  0.5000  0.6681  1
  In  In1  1  0.1799  0.0000  0.4692  1
  In  In2  1  0.8369  0.0000  0.5367  1
  In  In3  1  0.9234  0.0000  0.3585  1
  Cl  Cl4  1  0.0656  0.0000  0.5370  1
  Cl  Cl5  1  0.0742  0.5000  0.3655  1
  Cl  Cl6  1  0.8484  0.5000  0.4172  1
  Cl  Cl7  1  0.9587  0.5000  0.6479  1
]