data_[Na2Nb2Pb2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Nb  1.6000  1.4500  0.8200
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.9213]
_cell_length_b [7.0240]
_cell_length_c [8.1770]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7307]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaNbPbS4]
_chemical_formula_sum '[Na2 Nb2 Pb2 S8]'
_cell_volume [376.4737]
_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  0.2118  0.2500  0.5454  1.0
  Nb  Nb1  2  0.2514  0.7500  0.3131  1.0
  Pb  Pb2  2  0.2273  0.2500  0.0564  1.0
  S  S3  4  0.0209  0.0023  0.2401  1.0
  S  S4  2  0.4274  0.7500  0.5977  1.0
  S  S5  2  0.4468  0.7500  0.1376  1.0
]