data_[In4Te6]
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 [Pm]
_cell_length_a [17.9686]
_cell_length_b [8.0400]
_cell_length_c [17.9686]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [In2Te3]
_chemical_formula_sum '[In4 Te6]'
_cell_volume [2248.1016]
_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  2  0.0394  0.2878  0.6251  1
  In  In1  2  0.9622  0.2164  0.3720  1
  Te  Te2  2  0.1424  0.1946  0.5345  1
  Te  Te3  2  0.8569  0.2896  0.4656  1
  Te  Te4  1  0.1266  0.5000  0.4479  1
  Te  Te5  1  0.8715  0.0000  0.5578  1
]