data_[Ac4Sn4Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Sn  1.9600  1.4500  0.8300
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.3931]
_cell_length_b [5.3268]
_cell_length_c [9.6979]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [AcSnAu3]
_chemical_formula_sum '[Ac4 Sn4 Au12]'
_cell_volume [485.2334]
_cell_formula_units_Z [4]
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  4  0.2308  0.2500  0.0002  1
  Sn  Sn1  4  0.0853  0.2500  0.3424  1
  Au  Au2  4  0.0814  0.2500  0.6332  1
  Au  Au3  4  0.1096  0.7500  0.1509  1
  Au  Au4  4  0.1145  0.7500  0.8548  1
]