data_[Sm2Pu2Te4S2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Pu  1.2800  1.7500  0.9675
  Te  2.1000  1.4000  1.2933
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.3658]
_cell_length_b [4.3658]
_cell_length_c [15.1428]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [129]
_chemical_formula_structural [SmPuTe2S]
_chemical_formula_sum '[Sm2 Pu2 Te4 S2]'
_cell_volume [288.6198]
_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  0.0000  0.5000  0.9037  1
  Pu  Pu1  2  0.0000  0.5000  0.3971  1
  Te  Te2  2  0.0000  0.5000  0.1160  1
  Te  Te3  2  0.0000  0.5000  0.6957  1
  S  S4  2  0.0000  0.0000  0.5000  1
]