data_Zr2ZnPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.21
_cell_length_b   4.22
_cell_length_c   6.31
_cell_angle_alpha   90.0
_cell_angle_beta   91.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2ZnPb
_chemical_formula_sum   'Zr2 Zn1 Pb1'
_cell_volume   85.41
_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  0.54  0.11  0.48  1.0
  Zr  Zr3  1  0.52  0.11  0.84  1.0
  Zn  Zn1  1  0.0  0.0  0.0  1.0
  Pb  Pb0  1  0.93  0.0  0.16  1.0

data_Zr2ZnPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   4.22
_cell_length_c   6.31
_cell_angle_alpha   90.0
_cell_angle_beta   91.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2ZnPb
_chemical_formula_sum   'Zr2 Zn1 Pb1'
_cell_volume   85.41
_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  0.52  0.11  0.84  1.0
  Zr  Zr1  1  0.54  0.11  0.48  1.0
  Zn  Zn2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.93  0.0  0.16  1.0

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