data_GaIr2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   4.83
_cell_angle_alpha   104.5
_cell_angle_beta   104.5
_cell_angle_gamma   33.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaIr2Au
_chemical_formula_sum   'Ga1 Ir2 Au1'
_cell_volume   62.04
_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  0.52  0.0  0.44  1.0
  Ir  Ir2  1  0.25  0.0  0.11  1.0
  Ir  Ir3  1  0.65  0.0  0.0  1.0
  Au  Au0  1  0.12  0.0  0.44  1.0

data_GaIr2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   4.83
_cell_length_c   4.9
_cell_angle_alpha   104.5
_cell_angle_beta   106.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaIr2Au
_chemical_formula_sum   'Ga1 Ir2 Au1'
_cell_volume   62.04
_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  0.44  0.52  1.0
  Ir  Ir1  1  0.0  0.0  0.65  1.0
  Ir  Ir2  1  0.0  0.11  0.25  1.0
  Au  Au3  1  0.0  0.44  0.12  1.0

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