data_[Ba2Ge2Pb2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ge  2.0100  1.2500  0.7700
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.9282]
_cell_length_b [6.8169]
_cell_length_c [8.6157]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5310]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaGePbS4]
_chemical_formula_sum '[Ba2 Ge2 Pb2 S8]'
_cell_volume [385.8089]
_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  0.2739  0.2500  0.0642  1
  Ge  Ge1  2  0.2229  0.7500  0.3060  1
  Pb  Pb2  2  0.2343  0.2500  0.5403  1
  S  S3  4  0.0137  0.0061  0.2507  1
  S  S4  2  0.4138  0.7500  0.1395  1
  S  S5  2  0.4139  0.7500  0.5686  1
]