data_[Na2P4F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  P  2.1900  1.0000  0.5500
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.8105]
_cell_length_b [5.5327]
_cell_length_c [6.6944]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.7913]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaP2F8]
_chemical_formula_sum '[Na2 P4 F16]'
_cell_volume [318.4444]
_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
[
  Na  Na0  2  0.0000  0.0000  0.0000  1
  P  P1  4  0.1464  0.0000  0.6323  1
  F  F2  8  0.1279  0.2235  0.7790  1
  F  F3  4  0.1670  0.5000  0.2126  1
  F  F4  4  0.1847  0.0000  0.3847  1
]