data_[Ba24Pb4N8]
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
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.1642]
_cell_length_b [14.0415]
_cell_length_c [7.1260]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2520]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ba6PbN2]
_chemical_formula_sum '[Ba24 Pb4 N8]'
_cell_volume [1440.9986]
_cell_formula_units_Z [4]
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  8  0.1151  0.4020  0.5756  1.0
  Ba  Ba1  8  0.1295  0.0729  0.2467  1.0
  Ba  Ba2  8  0.2318  0.3621  0.1533  1.0
  Pb  Pb3  4  0.0000  0.1820  0.7500  1.0
  N  N4  8  0.2341  0.4927  0.8875  1.0
]