data_[In3Cl7]
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 [P6mm]
_cell_length_a [10.6858]
_cell_length_b [10.6858]
_cell_length_c [18.2768]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [183]
_chemical_formula_structural [In3Cl7]
_chemical_formula_sum '[In3 Cl7]'
_cell_volume [1807.3607]
_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  2  0.3333  0.6667  0.5209  1
  In  In1  1  0.0000  0.0000  0.4774  1
  Cl  Cl2  6  0.2080  0.4160  0.5229  1
  Cl  Cl3  1  0.0000  0.0000  0.3436  1
]