data_[Sm1Er1Pu2Te5]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.4859]
_cell_length_b [5.4859]
_cell_length_c [11.6714]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [SmErPu2Te5]
_chemical_formula_sum '[Sm1 Er1 Pu2 Te5]'
_cell_volume [351.2486]
_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
[
  Sm  Sm0  1  0.0000  0.0000  0.0000  1
  Er  Er1  1  0.0000  0.0000  0.5000  1
  Pu  Pu2  2  0.5000  0.5000  0.3203  1
  Te  Te3  2  0.0000  0.0000  0.2476  1
  Te  Te4  2  0.0000  0.5000  0.5000  1
  Te  Te5  1  0.5000  0.5000  0.0000  1
]