# generated using pymatgen
data_Nb4FeSe8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.99524634
_cell_length_b   6.99524634
_cell_length_c   12.95347438
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb4FeSe8
_chemical_formula_sum   'Nb8 Fe2 Se16'
_cell_volume   548.93753530
_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  0.00000000  0.00000000  0.25000000  1
  Nb  Nb1  1  0.00000000  0.00000000  0.75000000  1
  Nb  Nb2  1  0.50534200  0.01068400  0.25000000  1
  Nb  Nb3  1  0.98931600  0.49465800  0.25000000  1
  Nb  Nb4  1  0.50534200  0.49465800  0.25000000  1
  Nb  Nb5  1  0.49465800  0.98931600  0.75000000  1
  Nb  Nb6  1  0.01068400  0.50534200  0.75000000  1
  Nb  Nb7  1  0.49465800  0.50534200  0.75000000  1
  Fe  Fe8  1  0.00000000  0.00000000  0.50000000  1
  Fe  Fe9  1  0.00000000  0.00000000  0.00000000  1
  Se  Se10  1  0.33333300  0.66666700  0.88174300  1
  Se  Se11  1  0.66666700  0.33333300  0.11825700  1
  Se  Se12  1  0.66666700  0.33333300  0.38174300  1
  Se  Se13  1  0.33333300  0.66666700  0.61825700  1
  Se  Se14  1  0.16802300  0.83197700  0.37933800  1
  Se  Se15  1  0.16802300  0.33604500  0.37933800  1
  Se  Se16  1  0.66395500  0.83197700  0.37933800  1
  Se  Se17  1  0.83197700  0.16802300  0.62066200  1
  Se  Se18  1  0.83197700  0.66395500  0.62066200  1
  Se  Se19  1  0.33604500  0.16802300  0.62066200  1
  Se  Se20  1  0.83197700  0.16802300  0.87933800  1
  Se  Se21  1  0.83197700  0.66395500  0.87933800  1
  Se  Se22  1  0.33604500  0.16802300  0.87933800  1
  Se  Se23  1  0.16802300  0.83197700  0.12066200  1
  Se  Se24  1  0.16802300  0.33604500  0.12066200  1
  Se  Se25  1  0.66395500  0.83197700  0.12066200  1
