data_[Y6Pb2S2O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  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 [8.7349]
_cell_length_b [3.9188]
_cell_length_c [8.9653]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0693]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Y3PbSO]
_chemical_formula_sum '[Y6 Pb2 S2 O2]'
_cell_volume [297.6770]
_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
[
  Y  Y0  2  0.1129  0.2500  0.8570  1.0
  Y  Y1  2  0.1678  0.7500  0.5228  1.0
  Y  Y2  2  0.4370  0.7500  0.1543  1.0
  Pb  Pb3  2  0.1893  0.2500  0.2307  1.0
  S  S4  2  0.3389  0.7500  0.8390  1.0
  O  O5  2  0.0890  0.2500  0.5993  1.0
]