data_[Li4Sn2Bi2S8]
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
  Bi  2.0200  1.6000  1.0350
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [9.2590]
_cell_length_b [6.5270]
_cell_length_c [6.6331]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Li2SnBiS4]
_chemical_formula_sum '[Li4 Sn2 Bi2 S8]'
_cell_volume [400.8608]
_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  0.2490  0.3220  0.0094  1.0
  Sn  Sn1  2  0.0000  0.8174  0.0028  1.0
  Bi  Bi2  2  0.0000  0.1977  0.5046  1.0
  S  S3  4  0.2354  0.6760  0.1394  1.0
  S  S4  2  0.0000  0.1937  0.0781  1.0
  S  S5  2  0.0000  0.8041  0.6170  1.0
]