data_[Hf2Ta10Ga12]
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 [5.1288]
_cell_length_b [14.1930]
_cell_length_c [5.8262]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.2304]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [HfTa5Ga6]
_chemical_formula_sum '[Hf2 Ta10 Ga12]'
_cell_volume [415.9874]
_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  2  0.0000  0.0000  0.0000  1
  Ta  Ta1  4  0.0000  0.3320  0.0000  1
  Ta  Ta2  4  0.0000  0.3364  0.5000  1
  Ta  Ta3  2  0.0000  0.0000  0.5000  1
  Ga  Ga4  8  0.0038  0.1687  0.7418  1
  Ga  Ga5  4  0.0064  0.5000  0.2487  1
]