data_[Ba4Te4F20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Te  2.1000  1.4000  1.2933
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.8767]
_cell_length_b [7.0942]
_cell_length_c [9.6547]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.0555]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [BaTeF5]
_chemical_formula_sum '[Ba4 Te4 F20]'
_cell_volume [638.1948]
_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
[
  Ba  Ba0  4  0.0000  0.4693  0.7500  1
  Te  Te1  4  0.0000  0.0000  0.0000  1
  F  F2  8  0.0060  0.3021  0.0210  1
  F  F3  8  0.2231  0.0110  0.5975  1
  F  F4  4  0.0000  0.1040  0.7500  1
]