data_[Np4Ni4Pb8S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  Ni  1.9100  1.3500  0.7400
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.9330]
_cell_length_b [17.1159]
_cell_length_c [12.6184]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [NpNiPb2S5]
_chemical_formula_sum '[Np4 Ni4 Pb8 S20]'
_cell_volume [849.4369]
_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  0.1994  0.0276  1
  Ni  Ni1  4  0.0000  0.4313  0.4345  1
  Pb  Pb2  4  0.0000  0.0910  0.6653  1
  Pb  Pb3  4  0.0000  0.1212  0.3298  1
  S  S4  4  0.0000  0.0468  0.0186  1
  S  S5  4  0.0000  0.2904  0.6683  1
  S  S6  4  0.0000  0.3048  0.3898  1
  S  S7  4  0.0000  0.3536  0.0069  1
  S  S8  4  0.0000  0.4990  0.7831  1
]