data_YPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.94
_cell_length_b   10.94
_cell_length_c   10.94
_cell_angle_alpha   157.53
_cell_angle_beta   157.53
_cell_angle_gamma   31.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YPb2
_chemical_formula_sum   'Y2 Pb4'
_cell_volume   190.88
_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  Y4  1  0.0  0.13  0.26  1.0
  Y  Y5  1  0.0  0.0  0.0  1.0
  Pb  Pb0  1  0.13  0.0  0.79  1.0
  Pb  Pb1  1  0.0  0.0  0.98  1.0
  Pb  Pb2  1  0.13  0.0  0.72  1.0
  Pb  Pb3  1  0.0  0.0  0.05  1.0

data_YPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.26
_cell_length_b   4.26
_cell_length_c   10.94
_cell_angle_alpha   101.23
_cell_angle_beta   101.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YPb2
_chemical_formula_sum   'Y2 Pb4'
_cell_volume   190.88
_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  Y0  1  0.0  0.0  0.0  1.0
  Y  Y1  1  0.87  0.13  0.87  1.0
  Pb  Pb2  1  0.02  0.0  0.02  1.0
  Pb  Pb3  1  0.21  0.0  0.34  1.0
  Pb  Pb4  1  0.28  0.0  0.41  1.0
  Pb  Pb5  1  0.95  0.0  0.95  1.0

Y Y Pb Pb Pb Pb
Y Y Pb Pb Pb Pb 0 5 o o o 1 3 o o - 1 5 o o o 2 4 o o o 