data_[Y16Hf8Ge12N12]
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
  Ge  2.0100  1.2500  0.7700
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.2705]
_cell_length_b [5.9401]
_cell_length_c [14.3801]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.1538]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Y4Hf2(GeN)3]
_chemical_formula_sum '[Y16 Hf8 Ge12 N12]'
_cell_volume [850.6704]
_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  0.1175  0.9236  0.5994  1
  Y  Y1  8  0.2126  0.0875  0.4006  1
  Hf  Hf2  8  0.0604  0.5871  0.4206  1
  Ge  Ge3  8  0.1326  0.4503  0.2481  1
  Ge  Ge4  4  0.0000  0.1485  0.7500  1
  N  N5  8  0.0778  0.2660  0.5000  1
  N  N6  4  0.2500  0.2500  0.0000  1
]