data_[Hf4Ti12Ga8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Ti  1.5400  1.4000  0.8517
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.4002]
_cell_length_b [3.9159]
_cell_length_c [7.6821]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.8122]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [HfTi3Ga2]
_chemical_formula_sum '[Hf4 Ti12 Ga8]'
_cell_volume [427.0383]
_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  4  0.1151  0.0000  0.1480  1
  Ti  Ti1  4  0.0634  0.0000  0.6855  1
  Ti  Ti2  4  0.1330  0.5000  0.4924  1
  Ti  Ti3  4  0.1946  0.5000  0.8879  1
  Ga  Ga4  4  0.0151  0.5000  0.8515  1
  Ga  Ga5  4  0.2443  0.0000  0.7007  1
]