data_ZrAlPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.95
_cell_length_b   5.95
_cell_length_c   3.32
_cell_angle_alpha   101.34
_cell_angle_beta   101.34
_cell_angle_gamma   115.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAlPb2
_chemical_formula_sum   'Zr1 Al1 Pb2'
_cell_volume   98.35
_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  0.17  0.0  0.0  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.98  0.51  0.54  1.0
  Pb  Pb2  1  0.98  0.49  0.54  1.0

data_ZrAlPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.32
_cell_length_b   5.95
_cell_length_c   5.95
_cell_angle_alpha   115.48
_cell_angle_beta   101.34
_cell_angle_gamma   101.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAlPb2
_chemical_formula_sum   'Zr1 Al1 Pb2'
_cell_volume   98.35
_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  0.17  0.0  1.0
  Al  Al1  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.54  0.98  0.49  1.0
  Pb  Pb3  1  0.54  0.98  0.51  1.0

Zr Al Pb Pb