data_[Nb16Cu12W8N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Cu  1.9000  1.3500  0.8200
  W  2.3600  1.3500  0.7667
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.2881]
_cell_length_b [5.2607]
_cell_length_c [13.3681]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3967]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Nb4Cu3W2N3]
_chemical_formula_sum '[Nb16 Cu12 W8 N12]'
_cell_volume [635.4201]
_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
[
  Nb  Nb0  8  0.1094  0.0838  0.5831  1
  Nb  Nb1  8  0.2212  0.0877  0.9161  1
  Cu  Cu2  8  0.2147  0.3743  0.7494  1
  Cu  Cu3  4  0.0000  0.0212  0.7500  1
  W  W4  8  0.0375  0.4226  0.3760  1
  N  N5  8  0.0699  0.2925  0.0010  1
  N  N6  4  0.2500  0.2500  0.5000  1
]