data_[Te2I13]
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 [P-1]
_cell_length_a [7.8412]
_cell_length_b [9.2570]
_cell_length_c [11.9810]
_cell_angle_alpha [112.3439]
_cell_angle_beta [91.1498]
_cell_angle_gamma [105.4746]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Te2I13]
_chemical_formula_sum '[Te2 I13]'
_cell_volume [767.9675]
_cell_formula_units_Z [1]
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  2  0.1426  0.7082  0.8239  1.0
  I  I1  2  0.0409  0.2999  0.3771  1.0
  I  I2  2  0.2033  0.4072  0.0578  1.0
  I  I3  2  0.2491  0.3904  0.6835  1.0
  I  I4  2  0.3499  0.7474  0.1119  1.0
  I  I5  2  0.3727  0.0963  0.5358  1.0
  I  I6  2  0.4967  0.8709  0.7959  1.0
  I  I7  1  0.0000  0.0000  0.0000  1.0
]