data_YIrPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.83
_cell_length_b   5.83
_cell_length_c   5.83
_cell_angle_alpha   46.88
_cell_angle_beta   46.88
_cell_angle_gamma   46.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YIrPb2
_chemical_formula_sum   'Y1 Ir1 Pb2'
_cell_volume   96.44
_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  0.0  0.0  0.77  1.0
  Pb  Pb1  1  0.0  0.0  0.58  1.0
  Pb  Pb2  1  0.0  0.0  0.95  1.0

data_YIrPb2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   8.03
_cell_length_b   4.64
_cell_length_c   5.83
_cell_angle_alpha   90.0
_cell_angle_beta   117.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YIrPb2
_chemical_formula_sum   'Y2 Ir2 Pb4'
_cell_volume   192.89
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.0  1.0
  Ir  Ir1  2  0.0  0.0  0.77  1.0
  Pb  Pb2  2  0.0  0.0  0.58  1.0
  Pb  Pb3  2  0.0  0.0  0.95  1.0

Y Ir Pb Pb