data_[Pr2Al2Pb2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  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 [P2_1/m]
_cell_length_a [6.6793]
_cell_length_b [6.6650]
_cell_length_c [8.0909]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1936]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [PrAlPbS4]
_chemical_formula_sum '[Pr2 Al2 Pb2 S8]'
_cell_volume [344.0917]
_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
[
  Pr  Pr0  2  0.2255  0.7500  0.5575  1.0
  Al  Al1  2  0.2354  0.2500  0.3080  1.0
  Pb  Pb2  2  0.2588  0.7500  0.0705  1.0
  S  S3  4  0.0052  0.5047  0.2592  1.0
  S  S4  2  0.4273  0.2500  0.5882  1.0
  S  S5  2  0.4334  0.2500  0.1299  1.0
]