data_[Hf4Ti8Ga4]
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 [Cmcm]
_cell_length_a [3.0914]
_cell_length_b [20.7245]
_cell_length_c [4.5111]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [HfTi2Ga]
_chemical_formula_sum '[Hf4 Ti8 Ga4]'
_cell_volume [289.0162]
_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  0.0000  0.3954  0.2500  1.0
  Ti  Ti1  4  0.0000  0.0252  0.2500  1.0
  Ti  Ti2  4  0.0000  0.2334  0.7500  1.0
  Ga  Ga3  4  0.0000  0.1563  0.2500  1.0
]