data_[Ba2Si2Ge2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Si  1.9000  1.1000  0.5400
  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 [7.6088]
_cell_length_b [6.6241]
_cell_length_c [7.9579]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0297]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaSiGeS4]
_chemical_formula_sum '[Ba2 Si2 Ge2 S8]'
_cell_volume [379.1684]
_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  2  0.0127  0.7500  0.7467  1.0
  Si  Si1  2  0.3055  0.7500  0.2773  1.0
  Ge  Ge2  2  0.4919  0.7500  0.7321  1.0
  S  S3  4  0.2782  0.0034  0.1013  1.0
  S  S4  2  0.0791  0.7500  0.3737  1.0
  S  S5  2  0.4196  0.2500  0.5304  1.0
]