data_[Na4Sn2P2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sn  1.9600  1.4500  0.8300
  P  2.1900  1.0000  0.5500
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [9.0566]
_cell_length_b [6.8847]
_cell_length_c [6.8982]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Na2SnPS4]
_chemical_formula_sum '[Na4 Sn2 P2 S8]'
_cell_volume [430.1111]
_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  0.2457  0.7053  0.4949  1
  Sn  Sn1  2  0.0000  0.2135  0.5326  1
  P  P2  2  0.0000  0.8369  0.0071  1
  S  S3  4  0.1958  0.6919  0.0882  1
  S  S4  2  0.0000  0.1121  0.1311  1
  S  S5  2  0.0000  0.8732  0.6630  1
]