data_[Na2Pb10S10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [13.1211]
_cell_length_b [5.9739]
_cell_length_c [8.2311]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2102]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na(PbS)5]
_chemical_formula_sum '[Na2 Pb10 S10]'
_cell_volume [612.8795]
_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
[
  Na  Na0  2  0.0000  0.0000  0.0000  1.0
  Pb  Pb1  4  0.1602  0.5000  0.3346  1.0
  Pb  Pb2  4  0.1659  0.5000  0.8363  1.0
  Pb  Pb3  2  0.0000  0.0000  0.5000  1.0
  S  S4  4  0.1626  0.0000  0.3299  1.0
  S  S5  4  0.1796  0.0000  0.8335  1.0
  S  S6  2  0.0000  0.5000  0.0000  1.0
]