data_[Ce4Tm6Pu2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Tm  1.2500  1.7500  1.0950
  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 [17.1921]
_cell_length_b [3.8923]
_cell_length_c [7.9175]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.4645]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce2Tm3PuS6]
_chemical_formula_sum '[Ce4 Tm6 Pu2 S12]'
_cell_volume [513.0259]
_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
[
  Ce  Ce0  4  0.1668  0.0000  0.3339  1
  Tm  Tm1  4  0.1666  0.0000  0.8336  1
  Tm  Tm2  2  0.0000  0.5000  0.5000  1
  Pu  Pu3  2  0.0000  0.5000  0.0000  1
  S  S4  4  0.0037  0.0000  0.7449  1
  S  S5  4  0.1624  0.5000  0.5935  1
  S  S6  4  0.1690  0.5000  0.0731  1
]