data_[Sc6Pb2S2O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  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 [8.4914]
_cell_length_b [3.6099]
_cell_length_c [8.5148]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.7322]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Sc3PbSO]
_chemical_formula_sum '[Sc6 Pb2 S2 O2]'
_cell_volume [252.4244]
_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
[
  Sc  Sc0  2  0.1228  0.2500  0.8531  1.0
  Sc  Sc1  2  0.1580  0.7500  0.5199  1.0
  Sc  Sc2  2  0.4434  0.7500  0.1424  1.0
  Pb  Pb3  2  0.1925  0.2500  0.2283  1.0
  S  S4  2  0.3399  0.7500  0.8319  1.0
  O  O5  2  0.0877  0.2500  0.6001  1.0
]