data_[Hf6Ga8Ni4]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.6227]
_cell_length_b [4.2742]
_cell_length_c [7.9833]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.8365]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf3(Ga2Ni)2]
_chemical_formula_sum '[Hf6 Ga8 Ni4]'
_cell_volume [292.9832]
_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  4  0.1593  0.5000  0.6723  1
  Hf  Hf1  2  0.0000  0.0000  0.0000  1
  Ga  Ga2  4  0.0774  0.0000  0.4012  1
  Ga  Ga3  4  0.2063  0.5000  0.0515  1
  Ni  Ni4  4  0.1119  0.5000  0.2825  1
]