data_[Te2I4]
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_1]
_cell_length_a [7.1917]
_cell_length_b [4.4181]
_cell_length_c [8.2895]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.7469]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [TeI2]
_chemical_formula_sum '[Te2 I4]'
_cell_volume [253.5002]
_cell_formula_units_Z [2]
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  0.1016  0.2069  0.9331  1.0
  I  I1  2  0.1612  0.6996  0.3874  1.0
  I  I2  2  0.3705  0.6942  0.7781  1.0
]