data_[In11Cl9]
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 [10.4402]
_cell_length_b [10.4402]
_cell_length_c [20.1329]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [157]
_chemical_formula_structural [In11Cl9]
_chemical_formula_sum '[In11 Cl9]'
_cell_volume [1900.4466]
_cell_formula_units_Z [1]
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  0.1785  0.3579  0.4020  1
  In  In1  3  0.0000  0.8038  0.6156  1
  In  In2  2  0.3333  0.6667  0.6254  1
  Cl  Cl3  6  0.2112  0.7881  0.5400  1
  Cl  Cl4  2  0.3333  0.6667  0.3704  1
  Cl  Cl5  1  0.0000  0.0000  0.5096  1
]