data_[Te4I16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Te  2.1000  1.4000  1.2933
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.0746]
_cell_length_b [9.1250]
_cell_length_c [7.5785]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.6502]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TeI4]
_chemical_formula_sum '[Te4 I16]'
_cell_volume [973.2414]
_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
[
  Te  Te0  4  0.0000  0.3567  0.2500  1
  I  I1  8  0.1225  0.1477  0.4000  1
  I  I2  8  0.1243  0.3857  0.9328  1
]