data_[Hf12Ga2N6]
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
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [10.0587]
_cell_length_b [3.2111]
_cell_length_c [10.1157]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6041]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Hf6GaN3]
_chemical_formula_sum '[Hf12 Ga2 N6]'
_cell_volume [309.6603]
_cell_formula_units_Z [2]
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  2  0.0487  0.2500  0.7629  1.0
  Hf  Hf1  2  0.1374  0.7500  0.0468  1.0
  Hf  Hf2  2  0.1560  0.7500  0.5508  1.0
  Hf  Hf3  2  0.2432  0.2500  0.3304  1.0
  Hf  Hf4  2  0.3410  0.7500  0.8645  1.0
  Hf  Hf5  2  0.4541  0.2500  0.6272  1.0
  Ga  Ga6  2  0.3867  0.2500  0.1278  1.0
  N  N7  2  0.0495  0.2500  0.1442  1.0
  N  N8  2  0.2629  0.2500  0.7129  1.0
  N  N9  2  0.3587  0.7500  0.4766  1.0
]