data_[Nd6W2N8]
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 [Pmn2_1]
_cell_length_a [7.8406]
_cell_length_b [6.9571]
_cell_length_c [5.3104]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Nd3WN4]
_chemical_formula_sum '[Nd6 W2 N8]'
_cell_volume [289.6712]
_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  4  0.2427  0.6573  0.0658  1
  Nd  Nd1  2  0.0000  0.8463  0.5586  1
  W  W2  2  0.0000  0.1716  0.0016  1
  N  N3  4  0.2146  0.2984  0.0636  1
  N  N4  2  0.0000  0.1743  0.6428  1
  N  N5  2  0.0000  0.8921  0.0534  1
]