[CIF]
data_Nb4FeSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.34835755
_cell_length_b   5.34835755
_cell_length_c   5.34835755
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb4FeSe
_chemical_formula_sum   'Nb4 Fe1 Se1'
_cell_volume   108.17983158
_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
  Fe  Fe0  1  0.00000000  0.00000000  0.00000000  1
  Nb  Nb1  1  4.73289905  4.73289905  2.83082073  1
  Nb  Nb2  1  4.73289905  2.83082073  4.73289905  1
  Nb  Nb3  1  2.83082073  4.73289905  4.73289905  1
  Nb  Nb4  1  2.83082073  2.83082073  2.83082073  1
  Se  Se5  1  5.67278983  5.67278983  5.67278983  1
[/CIF]
