data_[Te1I4]
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 [P2/m]
_cell_length_a [6.6760]
_cell_length_b [4.2986]
_cell_length_c [7.3201]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.9287]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [TeI4]
_chemical_formula_sum '[Te1 I4]'
_cell_volume [209.5743]
_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  1  0.0000  0.5000  0.0000  1
  I  I1  2  0.2397  0.0000  0.8183  1
  I  I2  2  0.2955  0.5000  0.3198  1
]