data_[Sm4Er12Pu2]
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
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.1116]
_cell_length_b [9.3055]
_cell_length_c [10.5238]
_cell_angle_alpha [71.8466]
_cell_angle_beta [84.7064]
_cell_angle_gamma [77.3093]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Sm2Er6Pu]
_chemical_formula_sum '[Sm4 Er12 Pu2]'
_cell_volume [554.6350]
_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  2  0.0758  0.5855  0.3277  1
  Sm  Sm1  2  0.4733  0.3015  0.5576  1
  Er  Er2  2  0.0291  0.1920  0.4428  1
  Er  Er3  2  0.1363  0.9736  0.2183  1
  Er  Er4  2  0.1948  0.3588  0.1070  1
  Er  Er5  2  0.2474  0.7534  0.9993  1
  Er  Er6  2  0.3631  0.5270  0.7812  1
  Er  Er7  2  0.4169  0.9174  0.6696  1
  Pu  Pu8  2  0.3134  0.1364  0.8914  1
]