data_[Ac24Pd9Au3Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Pd  2.2000  1.4000  0.8462
  Au  2.5400  1.3500  1.0700
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [9.0019]
_cell_length_b [9.0019]
_cell_length_c [24.6060]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ac8Pd3AuBr4]
_chemical_formula_sum '[Ac24 Pd9 Au3 Br12]'
_cell_volume [1726.8102]
_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  18  0.0064  0.5032  0.2672  1
  Ac  Ac1  6  0.0000  0.0000  0.2668  1
  Pd  Pd2  9  0.0000  0.5000  0.0000  1
  Au  Au3  3  -0.0000  -0.0000  0.0000  1
  Br  Br4  9  0.0000  0.5000  0.5000  1
  Br  Br5  3  -0.0000  -0.0000  0.5000  1
]