data_[Np2V4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  V  1.6300  1.3500  0.7775
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.5129]
_cell_length_b [4.6523]
_cell_length_c [7.9052]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.0586]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Np(VS3)2]
_chemical_formula_sum '[Np2 V4 S12]'
_cell_volume [358.8450]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.5000  1
  V  V1  4  0.1915  0.0000  0.0752  1
  S  S2  4  0.0313  0.0000  0.1923  1
  S  S3  4  0.1473  0.5000  0.5771  1
  S  S4  4  0.2260  0.5000  0.1380  1
]