data_[La32Pd4N16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pd  2.2000  1.4000  0.8462
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [11.0728]
_cell_length_b [11.0728]
_cell_length_c [11.0728]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [216]
_chemical_formula_structural [La8PdN4]
_chemical_formula_sum '[La32 Pd4 N16]'
_cell_volume [1357.6078]
_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  16  0.1061  0.1061  0.6061  1
  La  La1  16  0.1396  0.1396  0.1396  1
  Pd  Pd2  4  0.2500  0.2500  0.7500  1
  N  N3  16  0.1281  0.1281  0.3719  1
]