data_[Nd12Cd4N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Cd  1.6900  1.5500  1.0900
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.3625]
_cell_length_b [7.1697]
_cell_length_c [7.1843]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.2861]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd6Cd2N]
_chemical_formula_sum '[Nd12 Cd4 N2]'
_cell_volume [519.7912]
_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
[
  Nd  Nd0  8  0.0324  0.2562  0.2890  1.0
  Nd  Nd1  4  0.2419  0.5000  0.8072  1.0
  Cd  Cd2  4  0.2478  0.0000  0.7436  1.0
  N  N3  2  0.0000  0.5000  0.5000  1.0
]