data_[Np2U4Tl4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  U  1.3800  1.7500  0.9913
  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 [6.9548]
_cell_length_b [12.0458]
_cell_length_c [7.9102]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6536]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NpU2(TlS3)2]
_chemical_formula_sum '[Np2 U4 Tl4 S12]'
_cell_volume [634.8907]
_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  2  0.0000  0.0000  0.5000  1
  U  U1  4  0.0000  0.3341  0.5000  1
  Tl  Tl2  4  0.0000  0.1656  0.0000  1
  S  S3  8  0.2302  0.1693  0.6919  1
  S  S4  4  0.2274  0.5000  0.6928  1
]