data_[Ba18Ac6Bi36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ac  1.1000  1.9500  1.2600
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [R-3c]
_cell_length_a [14.3586]
_cell_length_b [14.3586]
_cell_length_c [13.7830]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [167]
_chemical_formula_structural [Ba3AcBi6]
_chemical_formula_sum '[Ba18 Ac6 Bi36]'
_cell_volume [2460.9151]
_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
[
  Ba  Ba0  18  0.0000  0.4288  0.7500  1
  Ac  Ac1  6  0.0000  0.0000  0.0000  1
  Bi  Bi2  36  0.0738  0.2161  0.8424  1
]