data_[Hf4Ga2Si2]
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
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.3547]
_cell_length_b [3.7808]
_cell_length_c [7.5655]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.3719]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Hf2GaSi]
_chemical_formula_sum '[Hf4 Ga2 Si2]'
_cell_volume [143.5839]
_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  0.2274  0.2500  0.4319  1.0
  Hf  Hf1  2  0.2967  0.7500  0.0773  1.0
  Ga  Ga2  2  0.1205  0.2500  0.7914  1.0
  Si  Si3  2  0.3671  0.7500  0.7084  1.0
]