data_[Hf12Ta4Ga24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Ta  1.5000  1.4500  0.8200
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [10.6881]
_cell_length_b [10.8814]
_cell_length_c [6.6312]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Hf3TaGa6]
_chemical_formula_sum '[Hf12 Ta4 Ga24]'
_cell_volume [771.2266]
_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  0.1782  0.0497  0.5806  1
  Hf  Hf1  4  0.0000  0.3048  0.6074  1
  Ta  Ta2  4  0.0000  0.1077  0.8830  1
  Ga  Ga3  8  0.1185  0.4920  0.3323  1
  Ga  Ga4  8  0.2386  0.2147  0.9200  1
  Ga  Ga5  4  0.0000  0.1321  0.2869  1
  Ga  Ga6  4  0.0000  0.3338  0.0716  1
]