data_[Ca6Tb2Pu4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Tb  1.1000  1.7500  0.9815
  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 [7.2087]
_cell_length_b [12.4846]
_cell_length_c [7.2804]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2826]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca3Tb(PuSe3)2]
_chemical_formula_sum '[Ca6 Tb2 Pu4 Se12]'
_cell_volume [618.4606]
_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
[
  Ca  Ca0  4  0.0000  0.1675  0.5000  1
  Ca  Ca1  2  0.0000  0.5000  0.5000  1
  Tb  Tb2  2  0.0000  0.0000  0.0000  1
  Pu  Pu3  4  0.0000  0.3334  0.0000  1
  Se  Se4  8  0.2477  0.1648  0.2487  1
  Se  Se5  4  0.2467  0.0000  0.7512  1
]