data_[Sm6Er4Pu2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  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 [C2/m]
_cell_length_a [18.0075]
_cell_length_b [4.0915]
_cell_length_c [8.2976]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6713]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm3Er2PuSe6]
_chemical_formula_sum '[Sm6 Er4 Pu2 Se12]'
_cell_volume [594.0317]
_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
[
  Sm  Sm0  4  0.1642  0.0000  0.8347  1
  Sm  Sm1  2  0.0000  0.5000  0.5000  1
  Er  Er2  4  0.1636  0.0000  0.3279  1
  Pu  Pu3  2  0.0000  0.5000  0.0000  1
  Se  Se4  4  0.0028  0.0000  0.2494  1
  Se  Se5  4  0.1674  0.5000  0.0919  1
  Se  Se6  4  0.1708  0.5000  0.5762  1
]