data_[Ba4Li2Ge4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Li  0.9800  1.4500  0.9000
  Ge  2.0100  1.2500  0.7700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.0101]
_cell_length_b [6.9418]
_cell_length_c [7.8589]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.7895]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2Li(GeS3)2]
_chemical_formula_sum '[Ba4 Li2 Ge4 S12]'
_cell_volume [574.2259]
_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
[
  Ba  Ba0  4  0.2130  0.5000  0.2117  1
  Li  Li1  2  0.0000  0.5000  0.5000  1
  Ge  Ge2  4  0.0330  0.0000  0.1856  1
  S  S3  8  0.0583  0.2672  0.7957  1
  S  S4  4  0.2400  0.0000  0.3501  1
]