data_[Np12Ge4S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  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 [10.4596]
_cell_length_b [12.9519]
_cell_length_c [6.7826]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Np3GeS6]
_chemical_formula_sum '[Np12 Ge4 S24]'
_cell_volume [918.8474]
_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  8  0.1839  0.1008  0.0199  1
  Np  Np1  4  0.0000  0.3978  0.1130  1
  Ge  Ge2  4  0.0000  0.1759  0.4823  1
  S  S3  8  0.1616  0.4694  0.8176  1
  S  S4  8  0.1697  0.2640  0.2999  1
  S  S5  4  0.0000  0.0133  0.2642  1
  S  S6  4  0.0000  0.2290  0.8803  1
]