data_[Li4Ge2Sb2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ge  2.0100  1.2500  0.7700
  Sb  2.0500  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [8.9168]
_cell_length_b [6.3645]
_cell_length_c [6.4668]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Li2GeSbS4]
_chemical_formula_sum '[Li4 Ge2 Sb2 S8]'
_cell_volume [366.9954]
_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  0.3183  0.4974  1.0
  Ge  Ge1  2  0.0000  0.1604  0.0026  1.0
  Sb  Sb2  2  0.0000  0.7978  0.4511  1.0
  S  S3  4  0.2094  0.3150  0.8760  1.0
  S  S4  2  0.0000  0.1817  0.3625  1.0
  S  S5  2  0.0000  0.8186  0.9369  1.0
]