data_Ga2IrPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   5.17
_cell_angle_alpha   138.63
_cell_angle_beta   138.63
_cell_angle_gamma   59.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2IrPd
_chemical_formula_sum   'Ga2 Ir1 Pd1'
_cell_volume   59.85
_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  0.83  0.24  1.0
  Ga  Ga1  1  0.0  0.0  0.0  1.0
  Ir  Ir2  1  0.83  0.0  0.24  1.0
  Pd  Pd3  1  0.0  0.0  0.48  1.0

data_Ga2IrPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.65
_cell_length_b   3.65
_cell_length_c   5.17
_cell_angle_alpha   110.68
_cell_angle_beta   110.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2IrPd
_chemical_formula_sum   'Ga2 Ir1 Pd1'
_cell_volume   59.85
_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
  Ga  Ga1  1  0.41  0.24  0.41  1.0
  Ir  Ir2  1  0.24  0.41  0.41  1.0
  Pd  Pd3  1  0.48  0.48  0.48  1.0

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