data_[In8Te20]
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 [Cc]
_cell_length_a [4.3780]
_cell_length_b [17.1741]
_cell_length_c [14.0478]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.5422]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [In2Te5]
_chemical_formula_sum '[In8 Te20]'
_cell_volume [1055.8407]
_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  0.0001  0.0030  0.3562  1.0
  In  In1  4  0.4834  0.1136  0.6899  1.0
  Te  Te2  4  0.0047  0.3969  0.3969  1.0
  Te  Te3  4  0.0248  0.1550  0.4149  1.0
  Te  Te4  4  0.4825  0.4891  0.1480  1.0
  Te  Te5  4  0.4888  0.1952  0.2678  1.0
  Te  Te6  4  0.4993  0.2688  0.6234  1.0
]