data_ZrCo2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.55
_cell_length_b   4.55
_cell_length_c   4.55
_cell_angle_alpha   124.99
_cell_angle_beta   120.52
_cell_angle_gamma   85.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCo2Pb
_chemical_formula_sum   'Zr1 Co2 Pb1'
_cell_volume   63.47
_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
  Co  Co0  1  0.0  0.26  0.68  1.0
  Co  Co1  1  0.1  0.0  0.66  1.0
  Pb  Pb2  1  0.0  0.0  0.35  1.0

data_ZrCo2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.2
_cell_length_b   4.51
_cell_length_c   4.55
_cell_angle_alpha   119.74
_cell_angle_beta   117.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCo2Pb
_chemical_formula_sum   'Zr1 Co2 Pb1'
_cell_volume   63.47
_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  0.0  0.0  0.0  1.0
  Co  Co1  1  0.32  0.58  0.58  1.0
  Co  Co2  1  0.44  0.34  0.44  1.0
  Pb  Pb3  1  0.65  0.65  0.65  1.0

Zr Co Co Pb