data_[Y16Nb8Al12N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Nb  1.6000  1.4500  0.8200
  Al  1.6100  1.2500  0.6750
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.1702]
_cell_length_b [5.9126]
_cell_length_c [14.5446]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5249]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Y4Nb2(AlN)3]
_chemical_formula_sum '[Y16 Nb8 Al12 N12]'
_cell_volume [850.3547]
_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
[
  Y  Y0  8  0.1161  0.0776  0.5975  1
  Y  Y1  8  0.2144  0.0870  0.9024  1
  Nb  Nb2  8  0.0599  0.4152  0.4258  1
  Al  Al3  8  0.1300  0.4525  0.7486  1
  Al  Al4  4  0.0000  0.1582  0.2500  1
  N  N5  8  0.0806  0.2578  1.0000  1
  N  N6  4  0.2500  0.2500  0.5000  1
]