data_[Hf8Ga12Mo16N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Ga  1.8100  1.3000  0.7600
  Mo  2.1600  1.4500  0.7750
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.3788]
_cell_length_b [5.4479]
_cell_length_c [13.4431]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1355]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Hf2Ga3Mo4N3]
_chemical_formula_sum '[Hf8 Ga12 Mo16 N12]'
_cell_volume [668.9014]
_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  0.0537  0.4135  0.8964  1
  Ga  Ga1  8  0.2018  0.3804  0.2477  1
  Ga  Ga2  4  0.0000  0.0093  0.7500  1
  Mo  Mo3  8  0.1125  0.0656  0.0812  1
  Mo  Mo4  8  0.2138  0.0924  0.4190  1
  N  N5  8  0.0748  0.2741  0.5000  1
  N  N6  4  0.2500  0.2500  0.0000  1
]