data_[Hf2Th2Ga2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Th  1.3000  1.8000  1.0800
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.4339]
_cell_length_b [3.4339]
_cell_length_c [12.2043]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [HfThGa]
_chemical_formula_sum '[Hf2 Th2 Ga2]'
_cell_volume [143.9093]
_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
[
  Th  Th0  2  0.0000  0.0000  0.0051  1
  Hf  Hf1  2  0.0000  0.0000  0.3117  1
  Ga  Ga2  2  0.0000  0.0000  0.6832  1
]