data_[Ac3Tm3Ga6Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Tm  1.2500  1.7500  1.0950
  Ga  1.8100  1.3000  0.7600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.6834]
_cell_length_b [4.6834]
_cell_length_c [28.1271]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [AcTm(GaAu2)2]
_chemical_formula_sum '[Ac3 Tm3 Ga6 Au12]'
_cell_volume [534.2859]
_cell_formula_units_Z [3]
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
[
  Ac  Ac0  3  0.0000  0.0000  0.0000  1
  Tm  Tm1  3  -0.0000  -0.0000  0.5000  1
  Ga  Ga2  6  0.0000  0.0000  0.2357  1
  Au  Au3  6  0.0000  0.0000  0.1223  1
  Au  Au4  6  0.0000  0.0000  0.3953  1
]