data_Y2TiNb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.97
_cell_length_b   5.97
_cell_length_c   5.97
_cell_angle_alpha   144.04
_cell_angle_beta   127.8
_cell_angle_gamma   65.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2TiNb
_chemical_formula_sum   'Y2 Ti1 Nb1'
_cell_volume   97.47
_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
  Y  Y2  1  0.0  0.63  0.85  1.0
  Y  Y3  1  0.0  0.0  0.68  1.0
  Ti  Ti1  1  0.0  0.0  0.18  1.0
  Nb  Nb0  1  0.0  0.63  0.4  1.0

data_Y2TiNb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.69
_cell_length_b   5.25
_cell_length_c   5.97
_cell_angle_alpha   116.1
_cell_angle_beta   107.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2TiNb
_chemical_formula_sum   'Y2 Ti1 Nb1'
_cell_volume   97.47
_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
  Y  Y0  1  0.15  0.78  0.78  1.0
  Y  Y1  1  0.32  0.32  0.32  1.0
  Ti  Ti2  1  0.82  0.82  0.82  1.0
  Nb  Nb3  1  0.6  0.23  0.23  1.0

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