data_[Pb6S2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [P2_1/m]
_cell_length_a [7.4114]
_cell_length_b [5.8902]
_cell_length_c [8.3561]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.4926]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Pb3SO6]
_chemical_formula_sum '[Pb6 S2 O12]'
_cell_volume [353.1706]
_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
[
  Pb  Pb0  2  0.0736  0.2500  0.3770  1.0
  Pb  Pb1  2  0.2484  0.2500  0.8416  1.0
  Pb  Pb2  2  0.3932  0.7500  0.5847  1.0
  S  S3  2  0.2944  0.7500  0.1433  1.0
  O  O4  4  0.1798  0.5008  0.6200  1.0
  O  O5  4  0.4194  0.5449  0.1641  1.0
  O  O6  2  0.1607  0.7500  0.9798  1.0
  O  O7  2  0.1899  0.7500  0.2774  1.0
]