data_[Te4I8F4]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.5924]
_cell_length_b [7.1121]
_cell_length_c [14.7781]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.5839]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [TeI2F]
_chemical_formula_sum '[Te4 I8 F4]'
_cell_volume [707.2792]
_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  0.3346  0.5087  0.0898  1
  I  I1  4  0.0376  0.7364  0.0927  1
  I  I2  4  0.3520  0.7459  0.9192  1
  F  F3  4  0.3332  0.1620  0.6962  1
]