data_[In12Te6]
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 [P4bm]
_cell_length_a [11.6607]
_cell_length_b [11.6607]
_cell_length_c [17.1557]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [100]
_chemical_formula_structural [In2Te]
_chemical_formula_sum '[In12 Te6]'
_cell_volume [2332.6764]
_cell_formula_units_Z [6]
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  8  0.1346  0.1400  0.4465  1
  In  In1  4  0.1168  0.6168  0.5285  1
  Te  Te2  4  0.1405  0.3595  0.5424  1
  Te  Te3  2  0.0000  0.0000  0.5722  1
]