data_[Nd6Pb2S2O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  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 [8.9923]
_cell_length_b [4.0885]
_cell_length_c [9.3284]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6956]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Nd3PbSO]
_chemical_formula_sum '[Nd6 Pb2 S2 O2]'
_cell_volume [333.2031]
_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
[
  Nd  Nd0  2  0.1124  0.2500  0.8558  1.0
  Nd  Nd1  2  0.1703  0.7500  0.5226  1.0
  Nd  Nd2  2  0.4344  0.7500  0.1534  1.0
  Pb  Pb3  2  0.1862  0.2500  0.2286  1.0
  S  S4  2  0.3383  0.7500  0.8394  1.0
  O  O5  2  0.0886  0.2500  0.5964  1.0
]