data_[Nb6S10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.8642]
_cell_length_b [7.1905]
_cell_length_c [7.9510]
_cell_angle_alpha [108.0617]
_cell_angle_beta [97.0947]
_cell_angle_gamma [105.8104]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Nb3S5]
_chemical_formula_sum '[Nb6 S10]'
_cell_volume [298.6547]
_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
[
  Nb  Nb0  1  0.0024  0.9946  0.0019  1.0
  Nb  Nb1  1  0.1971  0.3980  0.3974  1.0
  Nb  Nb2  1  0.4009  0.7937  0.8008  1.0
  Nb  Nb3  1  0.5978  0.2038  0.2039  1.0
  Nb  Nb4  1  0.6745  0.5210  0.9836  1.0
  Nb  Nb5  1  0.7949  0.5975  0.6056  1.0
  S  S6  1  0.0521  0.6409  0.9060  1.0
  S  S7  1  0.0981  0.9505  0.6993  1.0
  S  S8  1  0.2321  0.0465  0.3049  1.0
  S  S9  1  0.3010  0.3562  0.0945  1.0
  S  S10  1  0.4143  0.4257  0.6917  1.0
  S  S11  1  0.5012  0.7541  0.5002  1.0
  S  S12  1  0.6319  0.8556  0.1160  1.0
  S  S13  1  0.7025  0.1543  0.8955  1.0
  S  S14  1  0.8307  0.2459  0.5020  1.0
  S  S15  1  0.9013  0.5595  0.2981  1.0
]