data_[Nd4Re2W2N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Re  1.9000  1.3500  0.7125
  W  2.3600  1.3500  0.7667
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.6120]
_cell_length_b [5.6218]
_cell_length_c [9.6943]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.4798]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Nd2ReWN6]
_chemical_formula_sum '[Nd4 Re2 W2 N12]'
_cell_volume [249.0636]
_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  0.2441  0.0310  0.2501  1.0
  Re  Re1  2  0.5000  0.0000  0.0000  1.0
  W  W2  2  0.0000  0.0000  0.5000  1.0
  N  N3  4  0.1876  0.2191  0.9645  1.0
  N  N4  4  0.2449  0.7216  0.9644  1.0
  N  N5  4  0.3180  0.0079  0.7516  1.0
]