# generated using pymatgen
data_Nb2FeS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.34503581
_cell_length_b   3.34503581
_cell_length_c   11.82861918
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2FeS4
_chemical_formula_sum   'Nb2 Fe1 S4'
_cell_volume   114.62153615
_cell_formula_units_Z   1
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  0.00000000  0.00000000  0.25654600  1
  Nb  Nb1  1  0.00000000  0.00000000  0.74345400  1
  Fe  Fe2  1  0.00000000  0.00000000  0.50000000  1
  S  S3  1  0.33333300  0.66666700  0.87612300  1
  S  S4  1  0.66666700  0.33333300  0.12387700  1
  S  S5  1  0.66666700  0.33333300  0.39551800  1
  S  S6  1  0.33333300  0.66666700  0.60448200  1
