data_[Ba2Pb10S10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.2890]
_cell_length_b [6.0493]
_cell_length_c [8.4923]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1769]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba(PbS)5]
_chemical_formula_sum '[Ba2 Pb10 S10]'
_cell_volume [648.6238]
_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
[
  Ba  Ba0  2  0.0000  0.0000  0.0000  1
  Pb  Pb1  4  0.1577  0.5000  0.3422  1
  Pb  Pb2  4  0.1627  0.5000  0.8230  1
  Pb  Pb3  2  0.0000  0.0000  0.5000  1
  S  S4  4  0.1727  0.0000  0.3445  1
  S  S5  4  0.1809  0.0000  0.8335  1
  S  S6  2  0.0000  0.5000  0.0000  1
]