data_[Ac12Ce3Y9Sb24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Ce  1.1200  1.8500  1.0800
  Y  1.2200  1.8000  1.0400
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [9.2234]
_cell_length_b [9.2234]
_cell_length_c [22.5951]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ac4CeY3Sb8]
_chemical_formula_sum '[Ac12 Ce3 Y9 Sb24]'
_cell_volume [1664.6676]
_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  9  0.0000  0.5000  0.0000  1
  Ac  Ac1  3  -0.0000  -0.0000  0.0000  1
  Ce  Ce2  3  0.0000  0.0000  0.5000  1
  Y  Y3  9  0.0000  0.5000  0.5000  1
  Sb  Sb4  18  0.0020  0.5010  0.7572  1
  Sb  Sb5  6  0.0000  0.0000  0.2425  1
]