data_[Zr4Ge4Pb8S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  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 [Cmc2_1]
_cell_length_a [3.8473]
_cell_length_b [17.4445]
_cell_length_c [14.3496]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [ZrGePb2S5]
_chemical_formula_sum '[Zr4 Ge4 Pb8 S20]'
_cell_volume [963.0749]
_cell_formula_units_Z [4]
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
[
  Zr  Zr0  4  0.0000  0.2399  0.0362  1.0
  Ge  Ge1  4  0.0000  0.4269  0.4601  1.0
  Pb  Pb2  4  0.0000  0.0860  0.6349  1.0
  Pb  Pb3  4  0.0000  0.1088  0.2814  1.0
  S  S4  4  0.0000  0.0897  0.0721  1.0
  S  S5  4  0.0000  0.2481  0.6584  1.0
  S  S6  4  0.0000  0.2933  0.4172  1.0
  S  S7  4  0.0000  0.3790  0.9938  1.0
  S  S8  4  0.0000  0.4988  0.2699  1.0
]