data_[Li4Sn2As2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [Pmn2_1]
_cell_length_a [9.8838]
_cell_length_b [5.9275]
_cell_length_c [5.7164]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Li2SnAsS4]
_chemical_formula_sum '[Li4 Sn2 As2 S8]'
_cell_volume [334.9044]
_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
[
  Li  Li0  4  0.2496  0.6975  0.9648  1.0
  Sn  Sn1  2  0.0000  0.2129  0.9579  1.0
  As  As2  2  0.0000  0.8014  0.4791  1.0
  S  S3  4  0.2427  0.7255  0.4128  1.0
  S  S4  2  0.0000  0.1863  0.4231  1.0
  S  S5  2  0.0000  0.7784  0.8848  1.0
]