data_[Na4Te4F20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Te  2.1000  1.4000  1.2933
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.9123]
_cell_length_b [5.7043]
_cell_length_c [6.7134]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [NaTeF5]
_chemical_formula_sum '[Na4 Te4 F20]'
_cell_volume [379.5915]
_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
[
  Na  Na0  4  0.0006  0.7500  0.3228  1
  Te  Te1  4  0.2338  0.7500  0.8445  1
  F  F2  8  0.0928  0.5123  0.8640  1
  F  F3  8  0.1338  0.0154  0.4549  1
  F  F4  4  0.1964  0.7500  0.1270  1
]