data_ZrFe2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33
_cell_length_b   5.33
_cell_length_c   4.53
_cell_angle_alpha   113.52
_cell_angle_beta   113.52
_cell_angle_gamma   37.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrFe2Pb
_chemical_formula_sum   'Zr1 Fe2 Pb1'
_cell_volume   70.14
_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  0.05  0.0  0.97  1.0
  Fe  Fe0  1  0.91  0.0  1.0  1.0
  Fe  Fe1  1  0.29  0.0  0.14  1.0
  Pb  Pb2  1  0.25  0.0  0.15  1.0

data_ZrFe2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.38
_cell_length_b   4.53
_cell_length_c   5.33
_cell_angle_alpha   113.52
_cell_angle_beta   108.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrFe2Pb
_chemical_formula_sum   'Zr1 Fe2 Pb1'
_cell_volume   70.14
_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  0.97  0.05  1.0
  Fe  Fe1  1  0.0  0.14  0.29  1.0
  Fe  Fe2  1  0.0  1.0  0.91  1.0
  Pb  Pb3  1  0.0  0.15  0.25  1.0

Zr Fe Fe Pb