data_NaNb2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.25
_cell_length_b   6.25
_cell_length_c   6.25
_cell_angle_alpha   151.81
_cell_angle_beta   136.07
_cell_angle_gamma   53.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaNb2Se
_chemical_formula_sum   'Na1 Nb2 Se1'
_cell_volume   79.6
_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  0.0  0.0  1.0
  Nb  Nb1  1  0.0  0.34  0.22  1.0
  Nb  Nb2  1  0.52  0.0  0.37  1.0
  Se  Se3  1  0.0  0.0  0.59  1.0

data_NaNb2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.04
_cell_length_b   4.68
_cell_length_c   6.25
_cell_angle_alpha   111.97
_cell_angle_beta   104.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaNb2Se
_chemical_formula_sum   'Na1 Nb2 Se1'
_cell_volume   79.6
_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  0.0  0.0  1.0
  Nb  Nb1  1  0.15  0.63  0.15  1.0
  Nb  Nb2  1  0.78  0.12  0.12  1.0
  Se  Se3  1  0.41  0.41  0.41  1.0

Na Nb Nb Se