data_[Al2Sb2Pb2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Sb  2.0500  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.7963]
_cell_length_b [7.0386]
_cell_length_c [8.0388]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7665]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [AlSbPbS4]
_chemical_formula_sum '[Al2 Sb2 Pb2 S8]'
_cell_volume [366.2098]
_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
[
  Al  Al0  2  0.2490  0.7500  0.3110  1.0
  Sb  Sb1  2  0.2429  0.2500  0.5333  1.0
  Pb  Pb2  2  0.2199  0.2500  0.0547  1.0
  S  S3  4  0.0309  0.5001  0.2554  1.0
  S  S4  2  0.4620  0.7500  0.5906  1.0
  S  S5  2  0.4788  0.7500  0.1617  1.0
]