data_[Ac12Cd4In12]
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 [C2/m]
_cell_length_a [12.1613]
_cell_length_b [5.0697]
_cell_length_c [16.3069]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.9445]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac3CdIn3]
_chemical_formula_sum '[Ac12 Cd4 In12]'
_cell_volume [945.0878]
_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  4  0.0390  0.5000  0.3833  1
  Ac  Ac1  4  0.0992  0.5000  0.9198  1
  Ac  Ac2  4  0.2427  0.5000  0.2230  1
  Cd  Cd3  4  0.2463  0.0000  0.3931  1
  In  In4  4  0.0355  0.0000  0.2330  1
  In  In5  4  0.1130  0.0000  0.0741  1
  In  In6  4  0.1317  0.0000  0.5434  1
]