data_[Np9Tl6Pb3S24]
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
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.0817]
_cell_length_b [8.0817]
_cell_length_c [22.9358]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Np3Tl2PbS8]
_chemical_formula_sum '[Np9 Tl6 Pb3 S24]'
_cell_volume [1297.3187]
_cell_formula_units_Z [3]
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  9  0.0025  0.5012  0.9997  1
  Tl  Tl1  3  0.0000  0.0000  0.1276  1
  Tl  Tl2  3  0.0000  0.0000  0.4945  1
  Pb  Pb3  3  0.0000  0.0000  0.8828  1
  S  S4  9  0.0183  0.5091  0.2690  1
  S  S5  9  0.1810  0.3620  0.0612  1
  S  S6  3  0.0000  0.0000  0.2720  1
  S  S7  3  0.0000  0.0000  0.7263  1
]