data_[Na8Sn4P4S20]
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 [Cmc2_1]
_cell_length_a [3.7910]
_cell_length_b [18.0095]
_cell_length_c [12.2439]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Na2SnPS5]
_chemical_formula_sum '[Na8 Sn4 P4 S20]'
_cell_volume [835.9528]
_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  0.1111  0.3408  1
  Na  Na1  4  0.0000  0.1147  0.6648  1
  Sn  Sn2  4  0.0000  0.2201  0.0441  1
  P  P3  4  0.0000  0.4340  0.4202  1
  S  S4  4  0.0000  0.0455  0.0085  1
  S  S5  4  0.0000  0.2975  0.6795  1
  S  S6  4  0.0000  0.3205  0.3849  1
  S  S7  4  0.0000  0.3501  0.0032  1
  S  S8  4  0.0000  0.4900  0.2782  1
]