data_[Ac36Ga18Ni3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Ga  1.8100  1.3000  0.7600
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [13.9461]
_cell_length_b [13.9461]
_cell_length_c [12.9675]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Ac12Ga6Ni]
_chemical_formula_sum '[Ac36 Ga18 Ni3]'
_cell_volume [2184.1885]
_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  0.0331  0.8240  0.3942  1
  Ac  Ac1  18  0.0485  0.8504  0.8819  1
  Ga  Ga2  18  0.0516  0.7757  0.6456  1
  Ni  Ni3  3  0.0000  0.0000  0.0000  1
]