data_[Hf4Al8Ga6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Al  1.6100  1.2500  0.6750
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.2844]
_cell_length_b [4.2796]
_cell_length_c [7.4725]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0013]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf2Al4Ga3]
_chemical_formula_sum '[Hf4 Al8 Ga6]'
_cell_volume [319.1132]
_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  4  0.2175  0.0000  0.3159  1
  Al  Al1  4  0.0988  0.0000  0.6673  1
  Al  Al2  4  0.1827  0.5000  0.0303  1
  Ga  Ga3  4  0.0451  0.5000  0.3442  1
  Ga  Ga4  2  0.0000  0.0000  0.0000  1
]