# generated using pymatgen
data_Nb4FeS8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.72989065
_cell_length_b   6.72988902
_cell_length_c   12.11525435
_cell_angle_alpha   89.99995970
_cell_angle_beta   90.00014467
_cell_angle_gamma   119.99988827
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb4FeS8
_chemical_formula_sum   'Nb8 Fe2 S16'
_cell_volume   475.20343030
_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  0.00011087  0.00005891  0.24997734  1.0
  Nb  Nb1  1  -0.00011081  -0.00005836  0.75002240  1.0
  Nb  Nb2  1  0.49297039  0.98601194  0.75002025  1.0
  Nb  Nb3  1  0.01390287  0.50694775  0.75002139  1.0
  Nb  Nb4  1  0.49297262  0.50695486  0.75001858  1.0
  Nb  Nb5  1  0.50702779  0.01398653  0.24997923  1.0
  Nb  Nb6  1  0.98609822  0.49305112  0.24997850  1.0
  Nb  Nb7  1  0.50702884  0.49304666  0.24998005  1.0
  Fe  Fe8  1  0.00000059  0.00000079  0.49999634  1.0
  Fe  Fe9  1  0.00000001  -0.00000000  0.00000331  1.0
  S  S10  1  0.33330445  0.66664959  0.88227637  1.0
  S  S11  1  0.66669670  0.33334972  0.11772325  1.0
  S  S12  1  0.66669655  0.33334835  0.38222553  1.0
  S  S13  1  0.33330321  0.66665073  0.61777515  1.0
  S  S14  1  0.83208106  0.66424149  0.87852723  1.0
  S  S15  1  0.33563879  0.16781759  0.87850480  1.0
  S  S16  1  0.83208198  0.16783426  0.87852767  1.0
  S  S17  1  0.16791634  0.33576023  0.12147515  1.0
  S  S18  1  0.66436023  0.83218173  0.12149722  1.0
  S  S19  1  0.16791557  0.83216334  0.12147487  1.0
  S  S20  1  0.16792070  0.33575863  0.37847798  1.0
  S  S21  1  0.66436586  0.83218468  0.37845396  1.0
  S  S22  1  0.16791707  0.83216825  0.37847743  1.0
  S  S23  1  0.83208409  0.66424574  0.62151881  1.0
  S  S24  1  0.33563411  0.16781449  0.62154428  1.0
  S  S25  1  0.83208291  0.16783201  0.62152090  1.0