# generated using pymatgen
data_Nb2FeSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.23334199
_cell_length_b   7.23334199
_cell_length_c   12.49515100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.96734432
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2FeSe4
_chemical_formula_sum   'Nb8 Fe4 Se16'
_cell_volume   566.36049511
_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  0.99951400  0.00048600  0.25000000  1.0
  Nb  Nb1  1  0.00048600  0.99951400  0.75000000  1.0
  Nb  Nb2  1  0.47423300  0.94859100  0.25000000  1.0
  Nb  Nb3  1  0.47426400  0.52573600  0.25000000  1.0
  Nb  Nb4  1  0.05140900  0.52576700  0.25000000  1.0
  Nb  Nb5  1  0.52576700  0.05140900  0.75000000  1.0
  Nb  Nb6  1  0.52573600  0.47426400  0.75000000  1.0
  Nb  Nb7  1  0.94859100  0.47423300  0.75000000  1.0
  Fe  Fe8  1  0.00000000  0.00000000  0.00000000  1.0
  Fe  Fe9  1  0.00000000  0.00000000  0.50000000  1.0
  Fe  Fe10  1  0.66645400  0.33354600  0.25000000  1.0
  Fe  Fe11  1  0.33354600  0.66645400  0.75000000  1.0
  Se  Se12  1  0.83180200  0.66317000  0.12221100  1.0
  Se  Se13  1  0.83085500  0.16914500  0.12227000  1.0
  Se  Se14  1  0.33683000  0.16819800  0.12221100  1.0
  Se  Se15  1  0.16819800  0.33683000  0.87778900  1.0
  Se  Se16  1  0.16914500  0.83085500  0.87773000  1.0
  Se  Se17  1  0.66317000  0.83180200  0.87778900  1.0
  Se  Se18  1  0.16819800  0.33683000  0.62221100  1.0
  Se  Se19  1  0.16914500  0.83085500  0.62227000  1.0
  Se  Se20  1  0.66317000  0.83180200  0.62221100  1.0
  Se  Se21  1  0.83180200  0.66317000  0.37778900  1.0
  Se  Se22  1  0.83085500  0.16914500  0.37773000  1.0
  Se  Se23  1  0.33683000  0.16819800  0.37778900  1.0
  Se  Se24  1  0.66660800  0.33339200  0.60027000  1.0
  Se  Se25  1  0.33339200  0.66660800  0.39973000  1.0
  Se  Se26  1  0.33339200  0.66660800  0.10027000  1.0
  Se  Se27  1  0.66660800  0.33339200  0.89973000  1.0