data_YIrPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.07
_cell_length_b   4.67
_cell_length_c   5.42
_cell_angle_alpha   90.0
_cell_angle_beta   101.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YIrPb2
_chemical_formula_sum   'Y1 Ir1 Pb2'
_cell_volume   100.75
_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
  Ir  Ir0  1  0.48  0.0  0.65  1.0
  Pb  Pb1  1  0.5  0.33  0.84  1.0
  Pb  Pb2  1  0.46  0.33  0.46  1.0

data_YIrPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.07
_cell_length_b   4.67
_cell_length_c   5.42
_cell_angle_alpha   90.0
_cell_angle_beta   101.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YIrPb2
_chemical_formula_sum   'Y1 Ir1 Pb2'
_cell_volume   100.75
_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
  Ir  Ir1  1  0.48  0.0  0.65  1.0
  Pb  Pb2  1  0.46  0.33  0.46  1.0
  Pb  Pb3  1  0.5  0.33  0.84  1.0

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