# generated using pymatgen
data_Nb2FeS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.01331484
_cell_length_b   3.31599904
_cell_length_c   13.06339901
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2FeS4
_chemical_formula_sum   'Nb8 Fe4 S16'
_cell_volume   477.07717949
_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
  Nb  Nb0  1  0.25000000  0.04425800  0.58444400  1
  Nb  Nb1  1  0.25000000  0.54425800  0.91555600  1
  Nb  Nb2  1  0.75000000  0.95574200  0.41555600  1
  Nb  Nb3  1  0.75000000  0.45574200  0.08444400  1
  Nb  Nb4  1  0.25000000  0.11426300  0.09964200  1
  Nb  Nb5  1  0.25000000  0.61426300  0.40035800  1
  Nb  Nb6  1  0.75000000  0.88573700  0.90035800  1
  Nb  Nb7  1  0.75000000  0.38573700  0.59964200  1
  Fe  Fe8  1  0.25000000  0.22551100  0.33454300  1
  Fe  Fe9  1  0.25000000  0.72551100  0.16545700  1
  Fe  Fe10  1  0.75000000  0.77448900  0.66545700  1
  Fe  Fe11  1  0.75000000  0.27448900  0.83454300  1
  S  S12  1  0.25000000  0.32212600  0.98687300  1
  S  S13  1  0.25000000  0.82212600  0.51312700  1
  S  S14  1  0.75000000  0.67787400  0.01312700  1
  S  S15  1  0.75000000  0.17787400  0.48687300  1
  S  S16  1  0.25000000  0.24297300  0.69553600  1
  S  S17  1  0.25000000  0.74297300  0.80446400  1
  S  S18  1  0.75000000  0.75702700  0.30446400  1
  S  S19  1  0.75000000  0.25702700  0.19553600  1
  S  S20  1  0.25000000  0.05772000  0.91235800  1
  S  S21  1  0.25000000  0.55772000  0.58764200  1
  S  S22  1  0.75000000  0.94228000  0.08764200  1
  S  S23  1  0.75000000  0.44228000  0.41235800  1
  S  S24  1  0.25000000  0.02375000  0.28526000  1
  S  S25  1  0.25000000  0.52375000  0.21474000  1
  S  S26  1  0.75000000  0.97625000  0.71474000  1
  S  S27  1  0.75000000  0.47625000  0.78526000  1
