data_[Te4Cl12F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Te  2.1000  1.4000  1.2933
  Cl  3.1600  1.0000  0.7800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [6.3413]
_cell_length_b [8.9193]
_cell_length_c [13.8428]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.2150]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [TeCl3F]
_chemical_formula_sum '[Te4 Cl12 F4]'
_cell_volume [781.7230]
_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  0.0587  0.1594  0.1069  1
  Cl  Cl1  4  0.0044  0.4182  0.3806  1
  Cl  Cl2  4  0.1181  0.1586  0.5710  1
  Cl  Cl3  4  0.3828  0.1907  0.0389  1
  F  F4  4  0.2151  0.1498  0.2366  1
]