data_[Ca4Pu8Se16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Pu  1.2800  1.7500  0.9675
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.1123]
_cell_length_b [13.5351]
_cell_length_c [13.9433]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ca(PuSe2)2]
_chemical_formula_sum '[Ca4 Pu8 Se16]'
_cell_volume [776.0824]
_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
[
  Ca  Ca0  4  0.0000  0.3868  0.2500  1
  Pu  Pu1  8  0.0000  0.1337  0.0683  1
  Se  Se2  8  0.0000  0.2269  0.6198  1
  Se  Se3  4  0.0000  0.0397  0.2500  1
  Se  Se4  4  0.0000  0.5000  0.0000  1
]