data_[Nd3N3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2]
_cell_length_a [7.6250]
_cell_length_b [7.3786]
_cell_length_c [16.5655]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [3]
_chemical_formula_structural [NdN]
_chemical_formula_sum '[Nd3 N3]'
_cell_volume [932.0014]
_cell_formula_units_Z [3]
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  2  0.2129  0.3724  0.5079  1
  Nd  Nd1  1  0.0000  0.8847  0.5000  1
  N  N2  2  0.0087  0.1804  0.4527  1
  N  N3  1  0.0000  0.5717  0.5000  1
]