data_[Pm2Pu4Sc6Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Pu  1.2800  1.7500  0.9675
  Sc  1.3600  1.6000  0.8850
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.9119]
_cell_length_b [11.9861]
_cell_length_c [7.0195]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2071]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PmPu2(ScSe2)3]
_chemical_formula_sum '[Pm2 Pu4 Sc6 Se12]'
_cell_volume [549.1727]
_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
[
  Pm  Pm0  2  0.0000  0.0000  0.0000  1
  Pu  Pu1  4  0.0000  0.3331  0.0000  1
  Sc  Sc2  4  0.0000  0.1651  0.5000  1
  Sc  Sc3  2  0.0000  0.5000  0.5000  1
  Se  Se4  8  0.2409  0.3316  0.7284  1
  Se  Se5  4  0.2465  0.0000  0.7286  1
]