data_[In8Te12]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.4450]
_cell_length_b [13.0672]
_cell_length_c [7.5330]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.4480]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [In2Te3]
_chemical_formula_sum '[In8 Te12]'
_cell_volume [686.6666]
_cell_formula_units_Z [4]
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  0.0000  0.3589  0.0000  1.0
  In  In1  2  0.0000  0.0000  0.0000  1.0
  In  In2  2  0.0000  0.5000  0.5000  1.0
  Te  Te3  8  0.2367  0.3378  0.7687  1.0
  Te  Te4  4  0.2328  0.0000  0.7287  1.0
]