data_Ga2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.66
_cell_length_b   4.66
_cell_length_c   4.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   61.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2Ir
_chemical_formula_sum   'Ga4 Ir2'
_cell_volume   89.37
_cell_formula_units_Z   2
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  0.69  0.06  0.17  1.0
  Ga  Ga1  1  0.31  0.94  0.51  1.0
  Ga  Ga2  1  0.31  0.06  0.17  1.0
  Ga  Ga3  1  0.69  0.94  0.51  1.0
  Ir  Ir4  1  1.0  0.66  0.17  1.0
  Ir  Ir5  1  1.0  0.34  0.51  1.0

data_Ga2Ir
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.66
_cell_length_b   4.66
_cell_length_c   4.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   118.38
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Ga2Ir
_chemical_formula_sum   'Ga4 Ir2'
_cell_volume   89.37
_cell_formula_units_Z   2
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  2  0.19  0.94  0.67  1.0
  Ga  Ga1  2  0.19  0.06  0.33  1.0
  Ir  Ir2  2  0.5  0.34  0.67  1.0

Ga Ga Ga Ga Ir Ir