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 [Cmc2_1]
_cell_length_a [4.3809]
_cell_length_b [17.1527]
_cell_length_c [14.1708]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [In2Te5]
_chemical_formula_sum '[In8 Te20]'
_cell_volume [1064.8586]
_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  0.0044  0.8519  1.0
  In  In1  4  0.0000  0.3855  0.6914  1.0
  Te  Te2  4  0.0000  0.0123  0.1471  1.0
  Te  Te3  4  0.0000  0.1578  0.9151  1.0
  Te  Te4  4  0.0000  0.2326  0.6262  1.0
  Te  Te5  4  0.0000  0.3048  0.2700  1.0
  Te  Te6  4  0.0000  0.4017  0.8957  1.0
]