data_[La6Nd2N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Nd  1.1400  1.8500  1.2765
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [6.4569]
_cell_length_b [7.4671]
_cell_length_c [6.4531]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3179]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [La3NdN4]
_chemical_formula_sum '[La6 Nd2 N8]'
_cell_volume [293.6158]
_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  2  0.0000  0.3773  0.7500  1
  La  La1  2  0.5000  0.1222  0.7500  1
  La  La2  2  0.5000  0.3761  0.2500  1
  Nd  Nd3  2  0.0000  0.1196  0.2500  1
  N  N4  4  0.2458  0.1113  0.0006  1
  N  N5  4  0.2503  0.3850  0.4980  1
]