data_[Nd6N6]
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 [P1]
_cell_length_a [4.1380]
_cell_length_b [19.5943]
_cell_length_c [19.5943]
_cell_angle_alpha [120.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [NdN]
_chemical_formula_sum '[Nd6 N6]'
_cell_volume [1375.8652]
_cell_formula_units_Z [6]
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  1  0.2027  0.8746  0.3819  1
  Nd  Nd1  1  0.2642  0.1248  0.6180  1
  Nd  Nd2  1  0.5478  0.8873  0.2314  1
  Nd  Nd3  1  0.6528  0.1158  0.7698  1
  Nd  Nd4  1  0.7231  0.0316  0.4215  1
  Nd  Nd5  1  0.8084  0.9657  0.5782  1
  N  N6  1  0.0133  0.9348  0.2921  1
  N  N7  1  0.1142  0.0676  0.7075  1
  N  N8  1  0.1193  0.0136  0.5024  1
  N  N9  1  0.2599  0.9802  0.3417  1
  N  N10  1  0.3671  0.0238  0.6598  1
  N  N11  1  0.4272  0.9803  0.4957  1
]