data_Zr2CoPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.63
_cell_length_b   5.63
_cell_length_c   5.63
_cell_angle_alpha   137.44
_cell_angle_beta   137.44
_cell_angle_gamma   61.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2CoPb
_chemical_formula_sum   'Zr2 Co1 Pb1'
_cell_volume   80.49
_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  0.83  1.0
  Zr  Zr3  1  0.0  0.04  0.41  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.04  0.0  0.41  1.0

data_Zr2CoPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.08
_cell_length_b   4.08
_cell_length_c   5.63
_cell_angle_alpha   111.28
_cell_angle_beta   111.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2CoPb
_chemical_formula_sum   'Zr2 Co1 Pb1'
_cell_volume   80.49
_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  0.37  0.41  0.37  1.0
  Zr  Zr1  1  0.83  0.83  0.83  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.41  0.37  0.37  1.0

Zr Zr Co Pb
Zr Zr Co Pb 0 2 o o + 1 3 o o o 