data_YNbPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   3.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YNbPb
_chemical_formula_sum   'Y1 Nb1 Pb1'
_cell_volume   74.21
_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  0.0  0.15  1.0
  Nb  Nb0  1  1.0  0.96  0.45  1.0
  Pb  Pb1  1  0.56  0.48  0.65  1.0

data_YNbPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   5.13
_cell_length_c   5.13
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YNbPb
_chemical_formula_sum   'Y1 Nb1 Pb1'
_cell_volume   74.21
_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  0.0  0.0  1.0
  Nb  Nb1  1  0.45  1.0  0.96  1.0
  Pb  Pb2  1  0.65  0.56  0.48  1.0

Y Nb Pb
Y Nb Pb 0 1 - - o 0 2 o o o 0 2 o o - 0 2 - - o 0 2 - - - 1 2 + + o 1 2 o o o 2 2 o o + 