data_[Na4Sb2Pb6Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sb  2.0500  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.4514]
_cell_length_b [12.9212]
_cell_length_c [7.3028]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6572]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2Sb(PbSe2)3]
_chemical_formula_sum '[Na4 Sb2 Pb6 Se12]'
_cell_volume [662.1472]
_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  4  0.0000  0.3334  0.0000  1.0
  Sb  Sb1  2  0.0000  0.0000  0.0000  1.0
  Pb  Pb2  4  0.0000  0.1677  0.5000  1.0
  Pb  Pb3  2  0.0000  0.5000  0.5000  1.0
  Se  Se4  8  0.2361  0.1575  0.2320  1.0
  Se  Se5  4  0.2358  0.0000  0.7564  1.0
]