data_ZrGa2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.52
_cell_length_b   5.52
_cell_length_c   5.52
_cell_angle_alpha   135.15
_cell_angle_beta   135.15
_cell_angle_gamma   65.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrGa2Pb
_chemical_formula_sum   'Zr1 Ga2 Pb1'
_cell_volume   82.3
_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
  Ga  Ga0  1  0.1  0.0  0.32  1.0
  Ga  Ga1  1  0.0  0.1  0.32  1.0
  Pb  Pb2  1  0.0  0.0  0.65  1.0

data_ZrGa2Pb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.95
_cell_length_b   5.95
_cell_length_c   5.52
_cell_angle_alpha   90.0
_cell_angle_beta   122.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrGa2Pb
_chemical_formula_sum   'Zr2 Ga4 Pb2'
_cell_volume   164.6
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Ga  Ga1  4  0.23  0.45  0.78  1.0
  Pb  Pb2  2  0.35  0.0  0.35  1.0

Zr Ga Ga Pb