data_[Ce4Pm6Pu2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Pm  1.1300  1.8500  1.1100
  Pu  1.2800  1.7500  0.9675
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2425]
_cell_length_b [12.5523]
_cell_length_c [7.2797]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3537]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce2Pm3PuSe6]
_chemical_formula_sum '[Ce4 Pm6 Pu2 Se12]'
_cell_volume [624.3993]
_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
[
  Ce  Ce0  4  0.0000  0.3336  0.0000  1
  Pm  Pm1  4  0.0000  0.1669  0.5000  1
  Pm  Pm2  2  0.0000  0.5000  0.5000  1
  Pu  Pu3  2  0.0000  0.0000  0.0000  1
  Se  Se4  8  0.2481  0.1653  0.2485  1
  Se  Se5  4  0.2474  0.0000  0.7510  1
]