data_[Y4Al4Pb8S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Al  1.6100  1.2500  0.6750
  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 [3.9190]
_cell_length_b [17.7420]
_cell_length_c [12.8538]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [YAlPb2S5]
_chemical_formula_sum '[Y4 Al4 Pb8 S20]'
_cell_volume [893.7299]
_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
[
  Y  Y0  4  0.0000  0.1991  0.0298  1.0
  Al  Al1  4  0.0000  0.4460  0.4249  1.0
  Pb  Pb2  4  0.0000  0.1214  0.3268  1.0
  Pb  Pb3  4  0.0000  0.1310  0.6701  1.0
  S  S4  4  0.0000  0.0379  0.0223  1.0
  S  S5  4  0.0000  0.2952  0.6768  1.0
  S  S6  4  0.0000  0.3211  0.3817  1.0
  S  S7  4  0.0000  0.3507  0.0154  1.0
  S  S8  4  0.0000  0.4899  0.7761  1.0
]