data_[Np4Mo4S10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  Mo  2.1600  1.4500  0.7750
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.0086]
_cell_length_b [4.6018]
_cell_length_c [7.5754]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.7392]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Np2Mo2S5]
_chemical_formula_sum '[Np4 Mo4 S10]'
_cell_volume [356.0228]
_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  4  0.1112  0.5000  0.2586  1
  Mo  Mo1  4  0.1087  0.0000  0.7903  1
  S  S2  4  0.1277  0.0000  0.4852  1
  S  S3  4  0.1532  0.5000  0.9189  1
  S  S4  2  0.0000  0.0000  0.0000  1
]