data_ZrPdPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.46
_cell_length_b   4.71
_cell_length_c   6.07
_cell_angle_alpha   90.0
_cell_angle_beta   105.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrPdPb2
_chemical_formula_sum   'Zr1 Pd1 Pb2'
_cell_volume   94.97
_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
  Zr  Zr3  1  0.89  0.0  0.47  1.0
  Pd  Pd2  1  0.75  0.35  0.87  1.0
  Pb  Pb0  1  0.6  0.35  0.45  1.0
  Pb  Pb1  1  0.53  0.0  0.8  1.0

data_ZrPdPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.46
_cell_length_b   4.71
_cell_length_c   6.07
_cell_angle_alpha   90.0
_cell_angle_beta   105.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrPdPb2
_chemical_formula_sum   'Zr1 Pd1 Pb2'
_cell_volume   94.97
_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
  Zr  Zr0  1  0.89  0.0  0.47  1.0
  Pd  Pd1  1  0.75  0.35  0.87  1.0
  Pb  Pb2  1  0.53  0.0  0.8  1.0
  Pb  Pb3  1  0.6  0.35  0.45  1.0

Zr Pd Pb Pb
Zr Pd Pb Pb 0 2 o o o 1 3 o o o 