data_[Cs6Pu4Mg2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Pu  1.2800  1.7500  0.9675
  Mg  1.3100  1.5000  0.8600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.3840]
_cell_length_b [12.7890]
_cell_length_c [8.6699]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.4578]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs3Pu2MgSe6]
_chemical_formula_sum '[Cs6 Pu4 Mg2 Se12]'
_cell_volume [785.1845]
_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
[
  Cs  Cs0  4  0.0000  0.1648  0.5000  1
  Cs  Cs1  2  0.0000  0.5000  0.5000  1
  Pu  Pu2  4  0.0000  0.3332  0.0000  1
  Mg  Mg3  2  0.0000  0.0000  0.0000  1
  Se  Se4  8  0.2263  0.1660  0.1813  1
  Se  Se5  4  0.2286  0.5000  0.1803  1
]