data_[Sb2Te2F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sb  2.0500  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [6.6183]
_cell_length_b [4.4023]
_cell_length_c [7.4666]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6883]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [SbTeF3]
_chemical_formula_sum '[Sb2 Te2 F6]'
_cell_volume [211.3642]
_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
[
  Sb  Sb0  2  0.4199  0.7067  0.7138  1
  Te  Te1  2  0.0295  0.3694  0.1216  1
  F  F2  2  0.1810  0.4943  0.5602  1
  F  F3  2  0.3947  0.9431  0.4023  1
  F  F4  2  0.4413  0.3645  0.8889  1
]