data_[Nd8Ti4W4N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ti  1.5400  1.4000  0.8517
  W  2.3600  1.3500  0.7667
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.3767]
_cell_length_b [13.3911]
_cell_length_c [10.5305]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Nd2TiWN5]
_chemical_formula_sum '[Nd8 Ti4 W4 N20]'
_cell_volume [476.1595]
_cell_formula_units_Z [4]
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  4  0.0000  0.1094  0.6829  1.0
  Nd  Nd1  4  0.0000  0.1495  0.2991  1.0
  Ti  Ti2  4  0.0000  0.2232  0.0202  1.0
  W  W3  4  0.0000  0.4623  0.4541  1.0
  N  N4  4  0.0000  0.0507  0.0437  1.0
  N  N5  4  0.0000  0.2821  0.6466  1.0
  N  N6  4  0.0000  0.3218  0.3876  1.0
  N  N7  4  0.0000  0.3671  0.0028  1.0
  N  N8  4  0.0000  0.4903  0.7870  1.0
]