data_[Ba4Sb2Pb2N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sb  2.0500  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.5840]
_cell_length_b [6.0921]
_cell_length_c [6.1374]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.3165]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2SbPbN6]
_chemical_formula_sum '[Ba4 Sb2 Pb2 N12]'
_cell_volume [322.9029]
_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  4  0.2500  0.5000  0.2506  1
  Sb  Sb1  2  0.0000  0.5000  0.5000  1
  Pb  Pb2  2  0.0000  0.0000  0.0000  1
  N  N3  8  0.0066  0.2624  0.2660  1
  N  N4  4  0.2391  0.5000  0.7546  1
]