data_[Na8Sn4As4S20]
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
  As  2.1800  1.1500  0.6600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.9993]
_cell_length_b [17.7239]
_cell_length_c [12.2634]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Na2SnAsS5]
_chemical_formula_sum '[Na8 Sn4 As4 S20]'
_cell_volume [869.2557]
_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  0.1079  0.6567  1.0
  Na  Na1  4  0.0000  0.1095  0.3372  1.0
  Sn  Sn2  4  0.0000  0.2258  0.0411  1.0
  As  As3  4  0.0000  0.4315  0.4305  1.0
  S  S4  4  0.0000  0.0514  0.0215  1.0
  S  S5  4  0.0000  0.2895  0.6726  1.0
  S  S6  4  0.0000  0.3072  0.3897  1.0
  S  S7  4  0.0000  0.3573  0.9990  1.0
  S  S8  4  0.0000  0.4899  0.2756  1.0
]