data_[Ce20Pu8Ga12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Pu  1.2800  1.7500  0.9675
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [8.2295]
_cell_length_b [12.8106]
_cell_length_c [9.8847]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Ce5Pu2Ga3]
_chemical_formula_sum '[Ce20 Pu8 Ga12]'
_cell_volume [1042.0901]
_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
[
  Ce  Ce0  8  0.0000  0.2334  0.2500  1
  Ce  Ce1  8  0.2137  0.0824  0.0000  1
  Ce  Ce2  4  0.0000  0.5000  0.2500  1
  Pu  Pu3  8  0.0856  0.1391  0.5000  1
  Ga  Ga4  8  0.0639  0.3577  0.0000  1
  Ga  Ga5  4  0.0000  0.0000  0.2500  1
]