data_[Np4Tl6Pd2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  Tl  1.6200  1.9000  1.3325
  Pd  2.2000  1.4000  0.8462
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.6729]
_cell_length_b [11.7513]
_cell_length_c [7.8903]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.9488]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Np2Tl3PdS6]
_chemical_formula_sum '[Np4 Tl6 Pd2 S12]'
_cell_volume [594.9032]
_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
[
  Np  Np0  4  0.0000  0.3336  0.0000  1
  Tl  Tl1  4  0.0000  0.1616  0.5000  1
  Tl  Tl2  2  0.0000  0.5000  0.5000  1
  Pd  Pd3  2  0.0000  0.0000  0.0000  1
  S  S4  8  0.2383  0.1735  0.2007  1
  S  S5  4  0.2332  0.5000  0.1861  1
]