data_[Te4H4F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Te  2.1000  1.4000  1.2933
  H  2.2000  0.2500  0.0000
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.0604]
_cell_length_b [3.9912]
_cell_length_c [4.7221]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.5171]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [TeHF]
_chemical_formula_sum '[Te4 H4 F4]'
_cell_volume [245.3817]
_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  2  0.3516  0.5000  0.8456  1
  Te  Te1  2  0.4568  0.0000  0.1844  1
  H  H2  2  0.0588  0.5000  0.9849  1
  H  H3  2  0.1770  0.0000  0.4757  1
  F  F4  2  0.0979  0.0000  0.4177  1
  F  F5  2  0.2741  0.0000  0.5505  1
]