data_[Ce3Tm3Pu6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Tm  1.2500  1.7500  1.0950
  Pu  1.2800  1.7500  0.9675
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.4167]
_cell_length_b [3.4167]
_cell_length_c [33.2134]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [CeTmPu2]
_chemical_formula_sum '[Ce3 Tm3 Pu6]'
_cell_volume [335.7836]
_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
[
  Ce  Ce0  3  0.0000  0.0000  0.4982  1
  Tm  Tm1  3  0.0000  0.0000  0.3340  1
  Pu  Pu2  3  0.0000  0.0000  0.7517  1
  Pu  Pu3  3  0.0000  0.0000  0.9161  1
]