data_[Np2Tl6S6]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.7224]
_cell_length_b [4.0772]
_cell_length_c [11.8615]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.2632]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Np(TlS)3]
_chemical_formula_sum '[Np2 Tl6 S6]'
_cell_volume [421.8299]
_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  0.1219  0.7500  0.3795  1
  Tl  Tl1  2  0.1402  0.7500  0.8705  1
  Tl  Tl2  2  0.3497  0.2500  0.1329  1
  Tl  Tl3  2  0.3741  0.2500  0.6348  1
  S  S4  2  0.0891  0.7500  0.6090  1
  S  S5  2  0.1053  0.7500  0.1485  1
  S  S6  2  0.3341  0.2500  0.3829  1
]