data_[Al4Te4Pb8S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Te  2.1000  1.4000  1.2933
  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 [4.1981]
_cell_length_b [17.6480]
_cell_length_c [12.7763]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [AlTePb2S5]
_chemical_formula_sum '[Al4 Te4 Pb8 S20]'
_cell_volume [946.5778]
_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
[
  Al  Al0  4  0.0000  0.4478  0.4080  1.0
  Te  Te1  4  0.0000  0.2149  0.0544  1.0
  Pb  Pb2  4  0.0000  0.1108  0.3539  1.0
  Pb  Pb3  4  0.0000  0.1220  0.7074  1.0
  S  S4  4  0.0000  0.0203  0.9911  1.0
  S  S5  4  0.0000  0.2869  0.6621  1.0
  S  S6  4  0.0000  0.3276  0.3534  1.0
  S  S7  4  0.0000  0.3498  0.0289  1.0
  S  S8  4  0.0000  0.4785  0.7648  1.0
]