# generated using pymatgen
data_NbFeSe5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.47022600
_cell_length_b   9.41480200
_cell_length_c   10.30049106
_cell_angle_alpha   66.29238494
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbFeSe5
_chemical_formula_sum   'Nb2 Fe2 Se10'
_cell_volume   308.13214707
_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  0.25000000  0.22432600  0.86708600  1.0
  Nb  Nb1  1  0.75000000  0.77567400  0.13291400  1.0
  Fe  Fe2  1  0.25000000  0.94839900  0.40263400  1.0
  Fe  Fe3  1  0.75000000  0.05160100  0.59736600  1.0
  Se  Se4  1  0.25000000  0.66658000  0.99856800  1.0
  Se  Se5  1  0.75000000  0.33342000  0.00143200  1.0
  Se  Se6  1  0.25000000  0.54431000  0.25621000  1.0
  Se  Se7  1  0.75000000  0.45569000  0.74379000  1.0
  Se  Se8  1  0.25000000  0.98717600  0.13714900  1.0
  Se  Se9  1  0.75000000  0.01282400  0.86285100  1.0
  Se  Se10  1  0.25000000  0.85430800  0.65704800  1.0
  Se  Se11  1  0.75000000  0.14569200  0.34295200  1.0
  Se  Se12  1  0.25000000  0.24738400  0.59057900  1.0
  Se  Se13  1  0.75000000  0.75261600  0.40942100  1.0