data_[Gd8Pb8S8O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Gd  1.2000  1.8000  1.0750
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pbca]
_cell_length_a [6.2289]
_cell_length_b [6.2789]
_cell_length_c [16.4405]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [61]
_chemical_formula_structural [GdPbSO]
_chemical_formula_sum '[Gd8 Pb8 S8 O8]'
_cell_volume [643.0033]
_cell_formula_units_Z [8]
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
[
  Gd  Gd0  8  0.0401  0.1125  0.2057  1
  Pb  Pb1  8  0.1974  0.1667  0.9632  1
  S  S2  8  0.1095  0.5117  0.1079  1
  O  O3  8  0.2468  0.1535  0.7733  1
]