data_[Np4Ge4S12]
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 [C2/m]
_cell_length_a [15.9095]
_cell_length_b [4.0894]
_cell_length_c [7.2201]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.1835]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NpGeS3]
_chemical_formula_sum '[Np4 Ge4 S12]'
_cell_volume [469.0146]
_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  0.1296  0.0000  0.0761  1
  Ge  Ge1  4  0.0970  0.5000  0.5831  1
  S  S2  4  0.0217  0.0000  0.7830  1
  S  S3  4  0.1673  0.0000  0.4372  1
  S  S4  4  0.1866  0.5000  0.8768  1
]