data_[La20Pb8N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pb  2.3300  1.8000  1.1225
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.1124]
_cell_length_b [5.1124]
_cell_length_c [37.2922]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [La10Pb4N3]
_chemical_formula_sum '[La20 Pb8 N6]'
_cell_volume [974.6893]
_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
[
  La  La0  8  0.0000  0.5000  0.1365  1
  La  La1  4  0.0000  0.0000  0.0681  1
  La  La2  4  0.0000  0.0000  0.2091  1
  La  La3  4  0.0000  0.5000  0.0000  1
  Pb  Pb4  4  0.0000  0.0000  0.3002  1
  Pb  Pb5  4  0.0000  0.0000  0.4318  1
  N  N6  4  0.0000  0.0000  0.1419  1
  N  N7  2  0.0000  0.0000  0.0000  1
]