# generated using pymatgen
data_Nb4FeSe8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.99602476
_cell_length_b   7.00045147
_cell_length_c   12.86693863
_cell_angle_alpha   90.00117849
_cell_angle_beta   89.99947652
_cell_angle_gamma   120.02069094
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb4FeSe8
_chemical_formula_sum   'Nb8 Fe2 Se16'
_cell_volume   545.62299078
_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  0.00265325  0.00131271  0.24999570  1.0
  Nb  Nb1  1  -0.00266146  -0.00131117  0.75000403  1.0
  Nb  Nb2  1  0.50781854  0.01742189  0.24997811  1.0
  Nb  Nb3  1  0.98266024  0.49133339  0.24998031  1.0
  Nb  Nb4  1  0.50783407  0.49040084  0.24998160  1.0
  Nb  Nb5  1  0.49218898  0.98257611  0.75002327  1.0
  Nb  Nb6  1  0.01733572  0.50867472  0.75001692  1.0
  Nb  Nb7  1  0.49216989  0.50960110  0.75001974  1.0
  Fe  Fe8  1  -0.00000292  -0.00000311  0.50001047  1.0
  Fe  Fe9  1  -0.00000019  0.99999590  -0.00001123  1.0
  Se  Se10  1  0.33415278  0.66708917  0.88431921  1.0
  Se  Se11  1  0.66584487  0.33290896  0.11567202  1.0
  Se  Se12  1  0.66585518  0.33293098  0.38437487  1.0
  Se  Se13  1  0.33416309  0.66707584  0.61565617  1.0
  Se  Se14  1  0.16805206  0.83062948  0.37834359  1.0
  Se  Se15  1  0.16806167  0.33740452  0.37835902  1.0
  Se  Se16  1  0.66640760  0.83321272  0.37747037  1.0
  Se  Se17  1  0.83198267  0.16940557  0.62166120  1.0
  Se  Se18  1  0.83194224  0.66257935  0.62166107  1.0
  Se  Se19  1  0.33356733  0.16677185  0.62254161  1.0
  Se  Se20  1  0.83197549  0.16940552  0.87831816  1.0
  Se  Se21  1  0.83196174  0.66262293  0.87829987  1.0
  Se  Se22  1  0.33355690  0.16677957  0.87745393  1.0
  Se  Se23  1  0.16802466  0.83059908  0.12166128  1.0
  Se  Se24  1  0.16802961  0.33736725  0.12166960  1.0
  Se  Se25  1  0.66642698  0.83321284  0.12253711  1.0