data_GaIr2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   4.82
_cell_angle_alpha   131.19
_cell_angle_beta   122.8
_cell_angle_gamma   78.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaIr2Pb
_chemical_formula_sum   'Ga1 Ir2 Pb1'
_cell_volume   68.72
_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  0.0  0.31  0.05  1.0
  Ir  Ir2  1  0.99  0.0  0.68  1.0
  Pb  Pb3  1  0.0  0.0  0.74  1.0

data_GaIr2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.99
_cell_length_b   4.62
_cell_length_c   4.82
_cell_angle_alpha   118.6
_cell_angle_beta   114.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaIr2Pb
_chemical_formula_sum   'Ga1 Ir2 Pb1'
_cell_volume   68.72
_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  0.0  0.68  0.69  1.0
  Ir  Ir2  1  0.69  0.74  0.74  1.0
  Pb  Pb3  1  0.0  0.74  0.74  1.0

Ga Ir Ir Pb