data_[Y2Pu4Tl6S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Pu  1.2800  1.7500  0.9675
  Tl  1.6200  1.9000  1.3325
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0476]
_cell_length_b [12.2045]
_cell_length_c [7.8405]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.4136]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [YPu2(TlS2)3]
_chemical_formula_sum '[Y2 Pu4 Tl6 S12]'
_cell_volume [643.4754]
_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
[
  Y  Y0  2  0.0000  0.0000  0.0000  1
  Pu  Pu1  4  0.0000  0.3334  0.0000  1
  Tl  Tl2  4  0.0000  0.1673  0.5000  1
  Tl  Tl3  2  0.0000  0.5000  0.5000  1
  S  S4  8  0.2321  0.1667  0.1963  1
  S  S5  4  0.2321  0.5000  0.1967  1
]