data_Ga2IrAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.62
_cell_length_b   4.62
_cell_length_c   3.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   103.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2IrAu
_chemical_formula_sum   'Ga2 Ir1 Au1'
_cell_volume   62.73
_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  Ga1  1  0.43  0.19  0.51  1.0
  Ga  Ga2  1  0.43  0.81  0.51  1.0
  Ir  Ir3  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.86  0.0  0.0  1.0

data_Ga2IrAu
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.62
_cell_length_b   3.02
_cell_length_c   4.62
_cell_angle_alpha   90.0
_cell_angle_beta   103.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Ga2IrAu
_chemical_formula_sum   'Ga2 Ir1 Au1'
_cell_volume   62.73
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.43  0.5  0.19  1.0
  Ga  Ga1  1  0.43  0.5  0.81  1.0
  Ir  Ir2  1  0.0  0.0  0.0  1.0
  Au  Au3  1  0.86  0.0  0.0  1.0

Ga Ga Ir Au
Ga Ga Ir Au 0 1 o - o 2 3 - o o 