data_[Cs2Pm1Pu1Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [P2/m]
_cell_length_a [7.5730]
_cell_length_b [4.3632]
_cell_length_c [8.7350]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.7780]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Cs2PmPuSe4]
_chemical_formula_sum '[Cs2 Pm1 Pu1 Se4]'
_cell_volume [276.3427]
_cell_formula_units_Z [1]
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  1  0.0000  0.5000  0.5000  1
  Cs  Cs1  1  0.5000  0.0000  0.5000  1
  Pm  Pm2  1  0.0000  0.0000  0.0000  1
  Pu  Pu3  1  0.5000  0.5000  0.0000  1
  Se  Se4  2  0.2309  0.5000  0.1888  1
  Se  Se5  2  0.2748  0.0000  0.8149  1
]