data_[Ca3Pu3Cd51]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Pu  1.2800  1.7500  0.9675
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [10.1346]
_cell_length_b [10.1346]
_cell_length_c [15.1005]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [CaPuCd17]
_chemical_formula_sum '[Ca3 Pu3 Cd51]'
_cell_volume [1343.1914]
_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
[
  Ca  Ca0  3  0.0000  0.0000  0.6650  1
  Pu  Pu1  3  0.0000  0.0000  0.3295  1
  Cd  Cd2  18  0.0008  0.3028  0.9997  1
  Cd  Cd3  9  0.0132  0.5066  0.8543  1
  Cd  Cd4  9  0.0212  0.5106  0.4959  1
  Cd  Cd5  9  0.0452  0.5226  0.1497  1
  Cd  Cd6  3  0.0000  0.0000  0.1036  1
  Cd  Cd7  3  0.0000  0.0000  0.9043  1
]