data_[Na8Ge4Pb2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [C2]
_cell_length_a [6.9234]
_cell_length_b [11.9332]
_cell_length_c [7.8364]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.0183]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Na4Ge2PbS6]
_chemical_formula_sum '[Na8 Ge4 Pb2 S12]'
_cell_volume [619.0762]
_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
[
  Na  Na0  2  0.0000  0.1788  0.0000  1.0
  Na  Na1  2  0.0000  0.3351  0.5000  1.0
  Na  Na2  2  0.0000  0.5001  0.0000  1.0
  Na  Na3  2  0.0000  0.8211  0.0000  1.0
  Ge  Ge4  4  0.0522  1.0000  0.6618  1.0
  Pb  Pb5  2  0.0000  0.6648  0.5000  1.0
  S  S6  4  0.2250  0.0003  0.2467  1.0
  S  S7  4  0.2375  0.8447  0.7515  1.0
  S  S8  4  0.2380  0.1552  0.7513  1.0
]