data_[Np4Tl8Ge4S20]
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
  Ge  2.0100  1.2500  0.7700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.9844]
_cell_length_b [18.3707]
_cell_length_c [14.0615]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [NpTl2GeS5]
_chemical_formula_sum '[Np4 Tl8 Ge4 S20]'
_cell_volume [1029.2546]
_cell_formula_units_Z [4]
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  0.1996  0.0346  1
  Tl  Tl1  4  0.0000  0.1257  0.6682  1
  Tl  Tl2  4  0.0000  0.1305  0.3341  1
  Ge  Ge3  4  0.0000  0.4422  0.4186  1
  S  S4  4  0.0000  0.0450  0.0135  1
  S  S5  4  0.0000  0.3002  0.6564  1
  S  S6  4  0.0000  0.3186  0.3987  1
  S  S7  4  0.0000  0.3347  0.0117  1
  S  S8  4  0.0000  0.4976  0.7879  1
]