data_[Li4In2Sn2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  In  1.7800  1.5500  0.9400
  Sn  1.9600  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [8.5921]
_cell_length_b [6.9576]
_cell_length_c [6.4334]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Li2InSnS4]
_chemical_formula_sum '[Li4 In2 Sn2 S8]'
_cell_volume [384.5949]
_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  0.2500  0.3266  0.4931  1.0
  In  In1  2  0.0000  0.8328  0.4992  1.0
  Sn  Sn2  2  0.0000  0.1823  0.9877  1.0
  S  S3  4  0.2370  0.6656  0.3757  1.0
  S  S4  2  0.0000  0.1759  0.3856  1.0
  S  S5  2  0.0000  0.8281  0.8898  1.0
]