data_NaNbSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.59
_cell_length_b   7.59
_cell_length_c   3.58
_cell_angle_alpha   93.79
_cell_angle_beta   93.79
_cell_angle_gamma   26.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaNbSe2
_chemical_formula_sum   'Na1 Nb1 Se2'
_cell_volume   90.34
_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
  Na  Na0  1  0.72  0.0  0.38  1.0
  Nb  Nb1  1  0.49  0.0  0.39  1.0
  Se  Se2  1  0.78  0.0  0.5  1.0
  Se  Se3  1  0.62  0.0  0.09  1.0

data_NaNbSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.42
_cell_length_b   3.58
_cell_length_c   7.59
_cell_angle_alpha   93.79
_cell_angle_beta   103.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaNbSe2
_chemical_formula_sum   'Na1 Nb1 Se2'
_cell_volume   90.34
_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
  Na  Na0  1  0.0  0.38  0.72  1.0
  Nb  Nb1  1  0.0  0.39  0.49  1.0
  Se  Se2  1  0.0  0.09  0.62  1.0
  Se  Se3  1  0.0  0.5  0.78  1.0

Na Nb Se Se
Na Nb Se Se 0 2 o o o 0 1 o o o 0 3 o o o 1 3 o o o 