data_[Y8Hf16Al12N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Hf  1.3000  1.5500  0.8500
  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 [9.8492]
_cell_length_b [5.6862]
_cell_length_c [14.7533]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.0390]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Y2Hf4(AlN)3]
_chemical_formula_sum '[Y8 Hf16 Al12 N12]'
_cell_volume [804.9503]
_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  0.0445  0.4178  0.8892  1
  Hf  Hf1  8  0.1100  0.0923  0.0813  1
  Hf  Hf2  8  0.2272  0.0805  0.4187  1
  Al  Al3  8  0.2422  0.3437  0.2509  1
  Al  Al4  4  0.0000  0.0692  0.2500  1
  N  N5  8  0.0856  0.2432  0.5000  1
  N  N6  4  0.2500  0.2500  0.0000  1
]