data_[Ac8Cd12In20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Cd  1.6900  1.5500  1.0900
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [12.1869]
_cell_length_b [13.6033]
_cell_length_c [6.7769]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Ac2Cd3In5]
_chemical_formula_sum '[Ac8 Cd12 In20]'
_cell_volume [1123.4897]
_cell_formula_units_Z [4]
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  8  0.2475  0.3746  0.0000  1
  Cd  Cd1  8  0.1340  0.3728  0.5000  1
  Cd  Cd2  4  0.0000  0.0000  0.2500  1
  In  In3  8  0.0000  0.2465  0.2500  1
  In  In4  8  0.1408  0.1195  0.0000  1
  In  In5  4  0.0000  0.5000  0.2500  1
]