# generated using pymatgen
data_Nb4FeS8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   25.00840156
_cell_length_b   3.35162767
_cell_length_c   5.76026997
_cell_angle_alpha   90.00000000
_cell_angle_beta   103.11480071
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb4FeS8
_chemical_formula_sum   'Nb8 Fe2 S16'
_cell_volume   470.22602126
_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  0.38344400  0.00000000  0.39055500  1
  Nb  Nb1  1  0.38028500  0.50000000  0.87300500  1
  Nb  Nb2  1  0.61655600  0.00000000  0.60944500  1
  Nb  Nb3  1  0.61971500  0.50000000  0.12699500  1
  Nb  Nb4  1  0.88344400  0.50000000  0.39055500  1
  Nb  Nb5  1  0.88028500  0.00000000  0.87300500  1
  Nb  Nb6  1  0.11655600  0.50000000  0.60944500  1
  Nb  Nb7  1  0.11971500  0.00000000  0.12699500  1
  Fe  Fe8  1  0.50000000  0.50000000  0.00000000  1
  Fe  Fe9  1  0.00000000  0.00000000  0.00000000  1
  S  S10  1  0.68294500  0.50000000  0.52026600  1
  S  S11  1  0.68230200  0.00000000  0.01327100  1
  S  S12  1  0.31769800  0.00000000  0.98672900  1
  S  S13  1  0.31705500  0.50000000  0.47973400  1
  S  S14  1  0.44699300  0.00000000  0.10841100  1
  S  S15  1  0.44810600  0.50000000  0.61907600  1
  S  S16  1  0.55189400  0.50000000  0.38092400  1
  S  S17  1  0.55300700  0.00000000  0.89158900  1
  S  S18  1  0.18294500  0.00000000  0.52026600  1
  S  S19  1  0.18230200  0.50000000  0.01327100  1
  S  S20  1  0.81769800  0.50000000  0.98672900  1
  S  S21  1  0.81705500  0.00000000  0.47973400  1
  S  S22  1  0.94699300  0.50000000  0.10841100  1
  S  S23  1  0.94810600  0.00000000  0.61907600  1
  S  S24  1  0.05189400  0.00000000  0.38092400  1
  S  S25  1  0.05300700  0.50000000  0.89158900  1
