data_YNb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.02
_cell_length_b   6.02
_cell_length_c   6.02
_cell_angle_alpha   145.31
_cell_angle_beta   127.57
_cell_angle_gamma   64.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YNb
_chemical_formula_sum   'Y2 Nb2'
_cell_volume   97.43
_cell_formula_units_Z   2
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  0.8  0.33  0.11  1.0
  Y  Y3  1  0.0  0.33  0.99  1.0
  Nb  Nb0  1  0.0  0.99  0.64  1.0
  Nb  Nb1  1  0.8  0.67  0.46  1.0

data_YNb
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.59
_cell_length_b   5.32
_cell_length_c   6.02
_cell_angle_alpha   116.21
_cell_angle_beta   107.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   YNb
_chemical_formula_sum   'Y2 Nb2'
_cell_volume   97.43
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.34  0.94  0.84  1.0
  Nb  Nb1  2  0.01  0.07  0.18  1.0

Y Y Nb Nb