data_[Ac2Cd16As12]
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
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P6_3cm]
_cell_length_a [8.1692]
_cell_length_b [8.1692]
_cell_length_c [14.7899]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [185]
_chemical_formula_structural [Ac(Cd4As3)2]
_chemical_formula_sum '[Ac2 Cd16 As12]'
_cell_volume [854.7742]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.4771  1
  Cd  Cd1  6  0.0000  0.3054  0.2672  1
  Cd  Cd2  6  0.0000  0.3829  0.6298  1
  Cd  Cd3  4  0.3333  0.6667  0.4093  1
  As  As4  6  0.0000  0.3678  0.4484  1
  As  As5  4  0.3333  0.6667  0.2113  1
  As  As6  2  0.0000  0.0000  0.1909  1
]