data_[La20Pb8N4]
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 [Cmcm]
_cell_length_a [6.0169]
_cell_length_b [16.1442]
_cell_length_c [12.2558]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [La5Pb2N]
_chemical_formula_sum '[La20 Pb8 N4]'
_cell_volume [1190.5033]
_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
[
  La  La0  8  0.0000  0.0717  0.1225  1
  La  La1  8  0.0000  0.2898  0.0939  1
  La  La2  4  0.0000  0.3203  0.7500  1
  Pb  Pb3  8  0.0000  0.1387  0.6215  1
  N  N4  4  0.0000  0.1842  0.2500  1
]