data_[Li2Sn4Bi10S20]
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 [P2/m]
_cell_length_a [13.3481]
_cell_length_b [4.0492]
_cell_length_c [16.9289]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.3141]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [LiSn2(BiS2)5]
_chemical_formula_sum '[Li2 Sn4 Bi10 S20]'
_cell_volume [912.3951]
_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  1  0.0000  0.5000  0.5000  1
  Li  Li1  1  0.5000  0.0000  0.5000  1
  Sn  Sn2  2  0.2579  0.0000  0.8873  1
  Sn  Sn3  1  0.0000  0.0000  0.0000  1
  Sn  Sn4  1  0.5000  0.5000  0.0000  1
  Bi  Bi5  2  0.0263  0.5000  0.7743  1
  Bi  Bi6  2  0.2181  0.0000  0.3928  1
  Bi  Bi7  2  0.2416  0.5000  0.1161  1
  Bi  Bi8  2  0.2797  0.5000  0.6014  1
  Bi  Bi9  2  0.4822  0.0000  0.2244  1
  S  S10  2  0.0717  0.5000  0.3675  1
  S  S11  2  0.1076  0.0000  0.1582  1
  S  S12  2  0.1335  0.5000  0.9457  1
  S  S13  2  0.1464  0.0000  0.5318  1
  S  S14  2  0.1548  0.0000  0.7414  1
  S  S15  2  0.3402  0.5000  0.2580  1
  S  S16  2  0.3513  0.5000  0.4627  1
  S  S17  2  0.3698  0.0000  0.0588  1
  S  S18  2  0.3989  0.5000  0.8412  1
  S  S19  2  0.4239  0.0000  0.6301  1
]