[CIF]
data_NbFeSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.71349307
_cell_length_b   3.75013186
_cell_length_c   6.74988731
_cell_angle_alpha   90.00000000
_cell_angle_beta   94.69695736
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbFeSe2
_chemical_formula_sum   'Nb1 Fe1 Se2'
_cell_volume   93.68385396
_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  1.98279312  0.00000000  4.20407305  1
  Nb  Nb1  1  0.11199137  1.87506593  4.21011113  1
  Se  Se2  1  0.12549662  0.00000000  5.90747301  1
  Se  Se3  1  1.96816230  1.87506593  2.49639134  1
[/CIF]
