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 [Cc]
_cell_length_a [8.7448]
_cell_length_b [6.9370]
_cell_length_c [8.6142]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.9886]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [NaTeF5]
_chemical_formula_sum '[Na4 Te4 F20]'
_cell_volume [487.8879]
_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  0.0087  0.4954  0.2159  1
  Te  Te1  4  0.0105  0.0555  0.4957  1
  F  F2  4  0.0332  0.3463  0.4747  1
  F  F3  4  0.2336  0.0360  0.6735  1
  F  F4  4  0.2686  0.4187  0.8827  1
  F  F5  4  0.4573  0.3479  0.1809  1
  F  F6  4  0.4688  0.3015  0.5827  1
]