data_[K4Ge2Pb2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [Pmn2_1]
_cell_length_a [9.5961]
_cell_length_b [8.4754]
_cell_length_c [6.4278]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [K2GePbS4]
_chemical_formula_sum '[K4 Ge2 Pb2 S8]'
_cell_volume [522.7762]
_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
[
  K  K0  4  0.2439  0.6683  0.9499  1.0
  Ge  Ge1  2  0.0000  0.1588  0.0094  1.0
  Pb  Pb2  2  0.0000  0.8364  0.4694  1.0
  S  S3  4  0.1956  0.2910  0.9367  1.0
  S  S4  2  0.0000  0.1336  0.3612  1.0
  S  S5  2  0.0000  0.9074  0.8868  1.0
]