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 [P31m]
_cell_length_a [13.2181]
_cell_length_b [13.2181]
_cell_length_c [17.9000]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [157]
_chemical_formula_structural [InCl]
_chemical_formula_sum '[In10 Cl10]'
_cell_volume [2708.4467]
_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  6  0.2089  0.7229  0.5356  1
  In  In1  3  0.0000  0.2356  0.5482  1
  In  In2  1  0.0000  0.0000  0.3862  1
  Cl  Cl3  6  0.1572  0.8408  0.4347  1
  Cl  Cl4  3  0.0000  0.5181  0.5357  1
  Cl  Cl5  1  0.0000  0.0000  0.5406  1
]