data_[Ca2Sm4Pu2Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Sm  1.1700  1.8500  1.2290
  Pu  1.2800  1.7500  0.9675
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [6.2948]
_cell_length_b [6.2948]
_cell_length_c [12.6151]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [119]
_chemical_formula_structural [CaSm2PuTe4]
_chemical_formula_sum '[Ca2 Sm4 Pu2 Te8]'
_cell_volume [499.8698]
_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
[
  Ca  Ca0  2  0.0000  0.0000  0.5000  1
  Sm  Sm1  2  0.0000  0.0000  0.0000  1
  Sm  Sm2  2  0.0000  0.5000  0.7500  1
  Pu  Pu3  2  0.0000  0.5000  0.2500  1
  Te  Te4  4  0.0000  0.0000  0.2515  1
  Te  Te5  4  0.0000  0.5000  0.0007  1
]