data_[Y8Hf16Si12N12]
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
  Si  1.9000  1.1000  0.5400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.8078]
_cell_length_b [5.6587]
_cell_length_c [14.1039]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8211]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Y2Hf4(SiN)3]
_chemical_formula_sum '[Y8 Hf16 Si12 N12]'
_cell_volume [760.0948]
_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  0.0429  0.4184  0.3879  1
  Hf  Hf1  8  0.1129  0.0900  0.5875  1
  Hf  Hf2  8  0.2234  0.0804  0.9125  1
  Si  Si3  8  0.2371  0.3479  0.7511  1
  Si  Si4  4  0.0000  0.0617  0.7500  1
  N  N5  8  0.0853  0.2444  1.0000  1
  N  N6  4  0.2500  0.2500  0.5000  1
]