data_YNbPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.91
_cell_length_b   5.91
_cell_length_c   5.91
_cell_angle_alpha   132.59
_cell_angle_beta   132.59
_cell_angle_gamma   69.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YNbPb2
_chemical_formula_sum   'Y1 Nb1 Pb2'
_cell_volume   109.93
_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  Y3  1  0.0  0.0  0.0  1.0
  Nb  Nb0  1  0.38  0.0  0.43  1.0
  Pb  Pb1  1  0.0  0.0  0.86  1.0
  Pb  Pb2  1  0.0  0.38  0.43  1.0

data_YNbPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.75
_cell_length_b   4.75
_cell_length_c   5.91
_cell_angle_alpha   113.71
_cell_angle_beta   113.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YNbPb2
_chemical_formula_sum   'Y1 Nb1 Pb2'
_cell_volume   109.93
_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  0.0  0.0  0.0  1.0
  Nb  Nb1  1  0.57  0.0  0.95  1.0
  Pb  Pb2  1  0.14  0.0  0.14  1.0
  Pb  Pb3  1  0.95  0.38  0.95  1.0

Y Nb Pb Pb
Y Nb Pb Pb 0 2 o o - 0 1 o o o 0 3 o o o 