data_[Te4O4F8]
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 [P2_1]
_cell_length_a [5.4558]
_cell_length_b [8.3655]
_cell_length_c [5.6972]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.4253]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [TeOF2]
_chemical_formula_sum '[Te4 O4 F8]'
_cell_volume [258.3859]
_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  0.1270  0.5893  0.9647  1.0
  Te  Te1  2  0.4803  0.8525  0.6522  1.0
  O  O2  2  0.3059  0.3944  0.0548  1.0
  O  O3  2  0.3942  0.6468  0.7747  1.0
  F  F4  2  0.0021  0.9536  0.2992  1.0
  F  F5  2  0.1923  0.9305  0.8405  1.0
  F  F6  2  0.2332  0.2351  0.4350  1.0
  F  F7  2  0.3410  0.6691  0.2714  1.0
]