[CIF]
data_NbFeSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.24705041
_cell_length_b   3.24705041
_cell_length_c   5.70031144
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbFeSe
_chemical_formula_sum   'Nb1 Fe1 Se1'
_cell_volume   52.04838737
_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  0.03129807  1
  Nb  Nb1  1  1.62352521  0.93734271  1.89973635  1
  Se  Se2  1  0.00000000  1.87468543  3.76927701  1
[/CIF]
