data_ZrPdPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.67
_cell_length_b   9.67
_cell_length_c   9.67
_cell_angle_alpha   20.25
_cell_angle_beta   20.25
_cell_angle_gamma   20.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrPdPb2
_chemical_formula_sum   'Zr1 Pd1 Pb2'
_cell_volume   94.76
_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  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.0  0.0  0.2  1.0
  Pb  Pb0  1  0.0  0.0  0.48  1.0
  Pb  Pb1  1  0.0  0.0  0.92  1.0

data_ZrPdPb2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.89
_cell_length_b   3.4
_cell_length_c   9.67
_cell_angle_alpha   90.0
_cell_angle_beta   101.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrPdPb2
_chemical_formula_sum   'Zr2 Pd2 Pb4'
_cell_volume   189.52
_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
  Zr  Zr0  2  0.0  0.0  0.0  1.0
  Pd  Pd1  2  -0.0  0.0  0.8  1.0
  Pb  Pb2  2  0.0  0.0  0.08  1.0
  Pb  Pb3  2  0.0  0.0  0.52  1.0

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