data_[Ca8Ac6Cd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ac  1.1000  1.9500  1.2600
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.9128]
_cell_length_b [10.2529]
_cell_length_c [19.3781]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ca4Ac3Cd4]
_chemical_formula_sum '[Ca8 Ac6 Cd8]'
_cell_volume [777.3930]
_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
[
  Ca  Ca0  8  0.0000  0.1861  0.3339  1
  Ac  Ac1  4  0.0000  0.0000  0.0966  1
  Ac  Ac2  2  0.0000  0.5000  0.0000  1
  Cd  Cd3  4  0.0000  0.2800  0.5000  1
  Cd  Cd4  4  0.0000  0.5000  0.2592  1
]