data_[Te4O6F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Te  2.1000  1.4000  1.2933
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.3443]
_cell_length_b [6.3125]
_cell_length_c [7.1269]
_cell_angle_alpha [99.4561]
_cell_angle_beta [108.9653]
_cell_angle_gamma [91.9503]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Te2O3F2]
_chemical_formula_sum '[Te4 O6 F4]'
_cell_volume [223.3042]
_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  0.1235  0.4842  0.2362  1.0
  Te  Te1  2  0.4022  0.0970  0.7965  1.0
  O  O2  2  0.1158  0.3466  0.9346  1.0
  O  O3  2  0.3533  0.8221  0.9342  1.0
  O  O4  2  0.4597  0.6357  0.2814  1.0
  F  F5  2  0.0819  0.7060  0.4619  1.0
  F  F6  2  0.3330  0.0614  0.2910  1.0
]