data_Zr2CdPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.55
_cell_length_b   10.55
_cell_length_c   10.55
_cell_angle_alpha   18.17
_cell_angle_beta   18.17
_cell_angle_gamma   18.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2CdPb
_chemical_formula_sum   'Zr2 Cd1 Pb1'
_cell_volume   99.66
_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  Zr2  1  0.0  0.0  0.12  1.0
  Zr  Zr3  1  0.0  0.0  0.29  1.0
  Cd  Cd0  1  0.0  0.0  0.45  1.0
  Pb  Pb1  1  0.0  0.0  0.81  1.0

data_Zr2CdPb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.77
_cell_length_b   3.33
_cell_length_c   10.55
_cell_angle_alpha   90.0
_cell_angle_beta   100.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Zr2CdPb
_chemical_formula_sum   'Zr4 Cd2 Pb2'
_cell_volume   199.32
_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  0.88  1.0
  Zr  Zr1  2  0.0  0.0  0.71  1.0
  Cd  Cd2  2  0.0  0.0  0.55  1.0
  Pb  Pb3  2  -0.0  0.0  0.19  1.0

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