data_[In10Cl10]
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 [P4bm]
_cell_length_a [12.9284]
_cell_length_b [12.9284]
_cell_length_c [19.2686]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [100]
_chemical_formula_structural [InCl]
_chemical_formula_sum '[In10 Cl10]'
_cell_volume [3220.6154]
_cell_formula_units_Z [10]
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  8  0.0803  0.2058  0.4504  1
  In  In1  2  0.0000  0.0000  0.6222  1
  Cl  Cl2  8  0.0824  0.8114  0.5439  1
  Cl  Cl3  2  0.0000  0.0000  0.4006  1
]