data_[Hf2Ti10Ga12]
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 [Immm]
_cell_length_a [4.8271]
_cell_length_b [5.6347]
_cell_length_c [14.4984]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [HfTi5Ga6]
_chemical_formula_sum '[Hf2 Ti10 Ga12]'
_cell_volume [394.3447]
_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  0.0000  0.0000  0.0000  1
  Ti  Ti1  4  0.0000  0.0000  0.3340  1
  Ti  Ti2  4  0.0000  0.5000  0.3374  1
  Ti  Ti3  2  0.0000  0.5000  0.0000  1
  Ga  Ga4  8  0.0000  0.2556  0.8290  1
  Ga  Ga5  4  0.0000  0.2379  0.5000  1
]