data_ZrGaPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   3.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrGaPb
_chemical_formula_sum   'Zr1 Ga1 Pb1'
_cell_volume   69.09
_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  0.87  0.25  1.0
  Ga  Ga0  1  0.0  0.0  0.03  1.0
  Pb  Pb1  1  0.49  0.44  0.94  1.0

data_ZrGaPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   4.98
_cell_length_c   4.98
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrGaPb
_chemical_formula_sum   'Zr1 Ga1 Pb1'
_cell_volume   69.09
_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  0.25  0.0  0.87  1.0
  Ga  Ga1  1  0.03  0.0  0.0  1.0
  Pb  Pb2  1  0.94  0.49  0.44  1.0

Zr Ga Pb