data_Ga2IrPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   6.64
_cell_angle_alpha   108.59
_cell_angle_beta   108.59
_cell_angle_gamma   37.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2IrPb
_chemical_formula_sum   'Ga2 Ir1 Pb1'
_cell_volume   87.12
_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
  Ga  Ga0  1  0.89  0.0  0.2  1.0
  Ga  Ga1  1  0.51  0.0  0.3  1.0
  Ir  Ir2  1  0.01  0.0  0.2  1.0
  Pb  Pb3  1  0.88  0.0  0.67  1.0

data_Ga2IrPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   4.78
_cell_length_c   6.64
_cell_angle_alpha   108.59
_cell_angle_beta   90.0
_cell_angle_gamma   108.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2IrPb
_chemical_formula_sum   'Ga2 Ir1 Pb1'
_cell_volume   87.12
_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
  Ga  Ga0  1  0.0  0.11  0.8  1.0
  Ga  Ga1  1  0.0  0.49  0.7  1.0
  Ir  Ir2  1  0.0  0.99  0.8  1.0
  Pb  Pb3  1  0.0  0.12  0.33  1.0

Ga Ga Ir Pb
Ga Ga Ir Pb 0 2 + o o 0 1 o o o 0 3 o o o 1 2 o o o 1 2 + o o 1 3 o o o 2 3 - o o 2 3 - o - 3 3 + - o 