data_GaIr2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.4
_cell_length_b   5.4
_cell_length_c   5.4
_cell_angle_alpha   138.2
_cell_angle_beta   138.2
_cell_angle_gamma   60.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaIr2Pb
_chemical_formula_sum   'Ga1 Ir2 Pb1'
_cell_volume   69.27
_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  0.0  0.0  1.0
  Ir  Ir1  1  0.93  0.0  0.33  1.0
  Ir  Ir2  1  0.0  0.0  0.66  1.0
  Pb  Pb3  1  0.0  0.93  0.33  1.0

data_GaIr2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.85
_cell_length_b   3.85
_cell_length_c   5.4
_cell_angle_alpha   110.9
_cell_angle_beta   110.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaIr2Pb
_chemical_formula_sum   'Ga1 Ir2 Pb1'
_cell_volume   69.27
_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  0.0  0.0  1.0
  Ir  Ir1  1  0.33  0.41  0.41  1.0
  Ir  Ir2  1  0.66  0.66  0.66  1.0
  Pb  Pb3  1  0.41  0.33  0.41  1.0

Ga Ir Ir Pb