data_[Hf4Ta2Ga12]
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 [C2/m]
_cell_length_a [10.5596]
_cell_length_b [5.4170]
_cell_length_c [5.7660]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.8940]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf2TaGa6]
_chemical_formula_sum '[Hf4 Ta2 Ga12]'
_cell_volume [324.9194]
_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  0.1338  0.5000  0.8573  1
  Ta  Ta1  2  0.0000  0.0000  0.0000  1
  Ga  Ga2  8  0.1198  0.2651  0.3507  1
  Ga  Ga3  4  0.1713  0.0000  0.7323  1
]