data_[Na4P2S2F10]
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
  S  2.5800  1.0000  0.8800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [5.4205]
_cell_length_b [5.4205]
_cell_length_c [9.7428]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [Na2PSF5]
_chemical_formula_sum '[Na4 P2 S2 F10]'
_cell_volume [286.2632]
_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  4  0.0000  0.5000  0.2995  1.0
  P  P1  2  0.0000  0.0000  0.9909  1.0
  S  S2  2  0.0000  0.0000  0.2048  1.0
  F  F3  8  0.2177  0.2177  0.9735  1.0
  F  F4  2  0.0000  0.0000  0.8111  1.0
]