data_[Li2In2Ge2S6]
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
  Ge  2.0100  1.2500  0.7700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.2155]
_cell_length_b [3.7014]
_cell_length_c [10.9633]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.8206]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiInGeS3]
_chemical_formula_sum '[Li2 In2 Ge2 S6]'
_cell_volume [246.8707]
_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  2  0.0520  0.2500  0.6616  1
  In  In1  2  0.4531  0.7500  0.3510  1
  Ge  Ge2  2  0.3624  0.2500  0.0619  1
  S  S3  2  0.1641  0.7500  0.1385  1
  S  S4  2  0.2327  0.2500  0.4465  1
  S  S5  2  0.3402  0.7500  0.7529  1
]