data_NaYNb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.41
_cell_length_b   4.68
_cell_length_c   5.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaYNb2
_chemical_formula_sum   'Na1 Y1 Nb2'
_cell_volume   87.18
_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
  Y  Y3  1  0.71  0.34  0.0  1.0
  Nb  Nb1  1  0.0  0.34  0.73  1.0
  Nb  Nb2  1  0.71  0.0  0.73  1.0

data_NaYNb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.41
_cell_length_b   4.68
_cell_length_c   5.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaYNb2
_chemical_formula_sum   'Na1 Y1 Nb2'
_cell_volume   87.18
_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
  Y  Y1  1  0.71  0.34  0.0  1.0
  Nb  Nb2  1  0.0  0.34  0.73  1.0
  Nb  Nb3  1  0.71  0.0  0.73  1.0

Na Y Nb Nb
Na Y Nb Nb 0 3 - o - 0 1 - o o 0 2 o o - 1 3 o o - 1 2 + o - 2 3 - o o 