data_[Hf24In4Ga12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  In  1.7800  1.5500  0.9400
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [10.4882]
_cell_length_b [10.4977]
_cell_length_c [7.3396]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Hf6InGa3]
_chemical_formula_sum '[Hf24 In4 Ga12]'
_cell_volume [808.1060]
_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  8  0.0000  0.1672  0.0127  1.0
  Hf  Hf1  8  0.1851  0.5000  0.0000  1.0
  Hf  Hf2  8  0.2453  0.2520  0.2500  1.0
  In  In3  4  0.0000  0.3722  0.7500  1.0
  Ga  Ga4  8  0.1232  0.0061  0.7500  1.0
  Ga  Ga5  4  0.0000  0.3734  0.2500  1.0
]