data_[Nd2W2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  W  2.3600  1.3500  0.7667
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [3.7035]
_cell_length_b [6.0534]
_cell_length_c [6.1826]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [NdWN3]
_chemical_formula_sum '[Nd2 W2 N6]'
_cell_volume [138.6066]
_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  2  0.0000  0.1631  0.2960  1.0
  W  W1  2  0.5000  0.3059  0.8192  1.0
  N  N2  2  0.0000  0.2393  0.9103  1.0
  N  N3  2  0.5000  0.0934  0.5967  1.0
  N  N4  2  0.5000  0.4277  0.1822  1.0
]