data_[Na4Al4F20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Al  1.6100  1.2500  0.6750
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.9388]
_cell_length_b [6.5357]
_cell_length_c [7.3845]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.5610]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [NaAlF5]
_chemical_formula_sum '[Na4 Al4 F20]'
_cell_volume [392.3767]
_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  0.0000  0.4733  0.7500  1
  Al  Al1  4  0.0000  0.0000  0.0000  1
  F  F2  8  0.0091  0.2734  0.4802  1
  F  F3  8  0.2192  0.0143  0.1115  1
  F  F4  4  0.0000  0.0364  0.7500  1
]