data_[Ac6Au6O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Au  2.5400  1.3500  1.0700
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.1110]
_cell_length_b [4.1110]
_cell_length_c [28.5991]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [AcAuO]
_chemical_formula_sum '[Ac6 Au6 O6]'
_cell_volume [418.5864]
_cell_formula_units_Z [6]
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  0.5007  1
  Ac  Ac1  3  0.0000  0.0000  0.7145  1
  Au  Au2  3  0.0000  0.0000  0.2995  1
  Au  Au3  3  0.0000  0.0000  0.9142  1
  O  O4  3  0.0000  0.0000  0.1441  1
  O  O5  3  0.0000  0.0000  0.4076  1
]