data_[Ac12Zn6Cd6In36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Zn  1.6500  1.3500  0.8800
  Cd  1.6900  1.5500  1.0900
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.2465]
_cell_length_b [7.2465]
_cell_length_c [38.2924]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ac2ZnCdIn6]
_chemical_formula_sum '[Ac12 Zn6 Cd6 In36]'
_cell_volume [1741.3897]
_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  6  0.0000  0.0000  0.1074  1
  Ac  Ac1  6  0.0000  0.0000  0.2826  1
  Zn  Zn2  3  -0.0000  -0.0000  0.5000  1
  Zn  Zn3  3  0.0000  0.0000  0.0000  1
  Cd  Cd4  6  0.0000  0.0000  0.4273  1
  In  In5  18  0.0402  0.5201  0.2994  1
  In  In6  18  0.0612  0.5306  0.8643  1
]