data_[La20Cd8N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Cd  1.6900  1.5500  1.0900
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [18.8166]
_cell_length_b [7.5182]
_cell_length_c [7.4066]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [La5(CdN)2]
_chemical_formula_sum '[La20 Cd8 N8]'
_cell_volume [1047.7858]
_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  0.0115  0.7427  0.7518  1
  La  La1  8  0.1373  0.0530  0.9786  1
  La  La2  4  0.2500  0.6737  0.8249  1
  Cd  Cd3  8  0.1119  0.0082  0.5128  1
  N  N4  4  0.0000  0.0000  0.0037  1
  N  N5  4  0.2500  0.5689  0.5209  1
]