data_[Hf8Ge12W16N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Ge  2.0100  1.2500  0.7700
  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 [9.4845]
_cell_length_b [5.5972]
_cell_length_c [13.0022]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0462]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Hf2Ge3W4N3]
_chemical_formula_sum '[Hf8 Ge12 W16 N12]'
_cell_volume [669.6059]
_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
[
  Hf  Hf0  8  0.0545  0.4132  0.3960  1
  Ge  Ge1  8  0.1875  0.3865  0.7481  1
  Ge  Ge2  4  0.0000  0.0417  0.2500  1
  W  W3  8  0.1133  0.0613  0.5850  1
  W  W4  8  0.2109  0.0940  0.9147  1
  N  N5  8  0.0756  0.2718  0.0004  1
  N  N6  4  0.2500  0.2500  0.5000  1
]