data_[Zr16Pb4N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Pb  2.3300  1.8000  1.1225
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.5366]
_cell_length_b [11.4523]
_cell_length_c [11.8414]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Zr4PbN2]
_chemical_formula_sum '[Zr16 Pb4 N8]'
_cell_volume [479.6084]
_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
[
  Zr  Zr0  8  0.0000  0.2469  0.5990  1
  Zr  Zr1  4  0.0000  0.0903  0.2500  1
  Zr  Zr2  4  0.0000  0.5000  0.0000  1
  Pb  Pb3  4  0.0000  0.3899  0.2500  1
  N  N4  8  0.0000  0.1323  0.0608  1
]