data_[Pr9Er9Pu3Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Er  1.2400  1.7500  1.0300
  Pu  1.2800  1.7500  0.9675
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.2356]
_cell_length_b [8.2356]
_cell_length_c [20.5334]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Pr3Er3PuSe8]
_chemical_formula_sum '[Pr9 Er9 Pu3 Se24]'
_cell_volume [1206.0885]
_cell_formula_units_Z [3]
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
[
  Pr  Pr0  9  0.0000  0.5000  0.5000  1
  Er  Er1  9  0.0000  0.5000  0.0000  1
  Pu  Pu2  3  -0.0000  -0.0000  0.0000  1
  Se  Se3  18  0.0126  0.5063  0.2534  1
  Se  Se4  6  0.0000  0.0000  0.2563  1
]