data_[Pu4Np2Tl6S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Np  1.3600  1.7500  1.0000
  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 [7.0597]
_cell_length_b [12.2269]
_cell_length_c [7.8238]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5005]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pu2Np(TlS2)3]
_chemical_formula_sum '[Pu4 Np2 Tl6 S12]'
_cell_volume [644.0778]
_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
[
  Pu  Pu0  4  0.0000  0.3334  0.0000  1
  Np  Np1  2  0.0000  0.0000  0.0000  1
  Tl  Tl2  4  0.0000  0.1674  0.5000  1
  Tl  Tl3  2  0.0000  0.5000  0.5000  1
  S  S4  8  0.2288  0.1644  0.1933  1
  S  S5  4  0.2361  0.5000  0.1943  1
]