data_[Li4Sn2Ge2S8]
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
  Ge  2.0100  1.2500  0.7700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [9.2567]
_cell_length_b [6.4600]
_cell_length_c [6.0529]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Li2SnGeS4]
_chemical_formula_sum '[Li4 Sn2 Ge2 S8]'
_cell_volume [361.9479]
_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  0.2482  0.6888  0.9848  1.0
  Sn  Sn1  2  0.0000  0.2250  0.9652  1.0
  Ge  Ge2  2  0.0000  0.8321  0.5017  1.0
  S  S3  4  0.2040  0.6830  0.3896  1.0
  S  S4  2  0.0000  0.1702  0.4066  1.0
  S  S5  2  0.0000  0.8249  0.8777  1.0
]