data_[Hf4Ga6Ni2]
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 [Cm]
_cell_length_a [9.7434]
_cell_length_b [4.1548]
_cell_length_c [6.4429]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.7701]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Hf2Ga3Ni]
_chemical_formula_sum '[Hf4 Ga6 Ni2]'
_cell_volume [197.5321]
_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  0.0437  0.5000  0.2975  1.0
  Hf  Hf1  2  0.4617  0.0000  0.7184  1.0
  Ga  Ga2  2  0.1459  0.0000  0.6723  1.0
  Ga  Ga3  2  0.1774  0.0000  0.1371  1.0
  Ga  Ga4  2  0.3393  0.5000  0.8953  1.0
  Ni  Ni5  2  0.3320  0.5000  0.2794  1.0
]