data_[Na4P2S8]
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
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.6707]
_cell_length_b [5.5313]
_cell_length_c [10.2991]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8609]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Na2PS4]
_chemical_formula_sum '[Na4 P2 S8]'
_cell_volume [361.6993]
_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  0.1465  0.7500  0.4202  1.0
  Na  Na1  2  0.3329  0.2500  0.0699  1.0
  P  P2  2  0.1338  0.7500  0.7764  1.0
  S  S3  4  0.2771  0.0089  0.6870  1.0
  S  S4  2  0.1834  0.2500  0.3016  1.0
  S  S5  2  0.2467  0.7500  0.9818  1.0
]