data_[In6Te2Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Te  2.1000  1.4000  1.2933
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [18.6239]
_cell_length_b [4.8803]
_cell_length_c [14.1116]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [In3TeCl]
_chemical_formula_sum '[In6 Te2 Cl2]'
_cell_volume [1282.6098]
_cell_formula_units_Z [2]
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  4  0.4027  0.0000  0.3330  1
  In  In1  2  0.5000  0.0000  0.1378  1
  Te  Te2  2  0.5000  0.0000  0.5090  1
  Cl  Cl3  2  0.5000  0.0000  0.8127  1
]