data_[La4Sm6Pu2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Sm  1.1700  1.8500  1.2290
  Pu  1.2800  1.7500  0.9675
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.6681]
_cell_length_b [4.0359]
_cell_length_c [8.1336]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3896]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2Sm3PuS6]
_chemical_formula_sum '[La4 Sm6 Pu2 S12]'
_cell_volume [564.2154]
_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
[
  La  La0  4  0.1648  0.0000  0.3310  1
  Sm  Sm1  4  0.1672  0.0000  0.8360  1
  Sm  Sm2  2  0.0000  0.5000  0.5000  1
  Pu  Pu3  2  0.0000  0.5000  0.0000  1
  S  S4  4  0.0033  0.0000  0.7545  1
  S  S5  4  0.1649  0.5000  0.5899  1
  S  S6  4  0.1654  0.5000  0.0764  1
]