data_[Sr8Al4Pb4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  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 [3.9491]
_cell_length_b [17.9766]
_cell_length_c [12.6178]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sr2AlPbS5]
_chemical_formula_sum '[Sr8 Al4 Pb4 S20]'
_cell_volume [895.7493]
_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
[
  Sr  Sr0  4  0.0000  0.1101  0.6798  1
  Sr  Sr1  4  0.0000  0.1240  0.3307  1
  Al  Al2  4  0.0000  0.4496  0.4218  1
  Pb  Pb3  4  0.0000  0.2068  0.0372  1
  S  S4  4  0.0000  0.0278  0.0159  1
  S  S5  4  0.0000  0.2840  0.6925  1
  S  S6  4  0.0000  0.3276  0.3729  1
  S  S7  4  0.0000  0.3536  0.0078  1
  S  S8  4  0.0000  0.4934  0.7654  1
]