data_[Ce20Pu4Tc12]
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
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.3843]
_cell_length_b [8.7029]
_cell_length_c [9.9093]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.0990]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce5PuTc3]
_chemical_formula_sum '[Ce20 Pu4 Tc12]'
_cell_volume [996.4204]
_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  0.1858  0.2005  0.6419  1
  Ce  Ce1  4  0.0000  0.3043  0.0000  1
  Ce  Ce2  4  0.0382  0.5000  0.3478  1
  Ce  Ce3  4  0.2360  0.0000  0.0509  1
  Pu  Pu4  4  0.0593  0.0000  0.2799  1
  Tc  Tc5  4  0.1741  0.5000  0.1314  1
  Tc  Tc6  4  0.1937  0.5000  0.5775  1
  Tc  Tc7  2  0.0000  0.0000  0.0000  1
  Tc  Tc8  2  0.0000  0.0000  0.5000  1
]