data_[Ba3Ac3Cd51]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ac  1.1000  1.9500  1.2600
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [10.3185]
_cell_length_b [10.3185]
_cell_length_c [15.2005]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [BaAcCd17]
_chemical_formula_sum '[Ba3 Ac3 Cd51]'
_cell_volume [1401.5971]
_cell_formula_units_Z [3]
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
[
  Ba  Ba0  3  0.0000  0.0000  0.6642  1
  Ac  Ac1  3  0.0000  0.0000  0.3340  1
  Cd  Cd2  18  0.0008  0.2958  0.9998  1
  Cd  Cd3  9  0.0054  0.5027  0.4988  1
  Cd  Cd4  9  0.0178  0.5089  0.1499  1
  Cd  Cd5  9  0.1689  0.3378  0.1843  1
  Cd  Cd6  3  0.0000  0.0000  0.1013  1
  Cd  Cd7  3  0.0000  0.0000  0.9030  1
]