data_[Th4Ga6Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Ga  1.8100  1.3000  0.7600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.5290]
_cell_length_b [4.5429]
_cell_length_c [6.7296]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2188]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Th2Ga3Au2]
_chemical_formula_sum '[Th4 Ga6 Au4]'
_cell_volume [305.7579]
_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  4  0.1489  0.0000  0.7695  1
  Ga  Ga1  4  0.0942  0.5000  0.4201  1
  Ga  Ga2  2  0.0000  0.5000  0.0000  1
  Au  Au3  4  0.1570  0.0000  0.2468  1
]