data_Mg2GaB2Ir5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.49
_cell_length_b   9.49
_cell_length_c   2.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2GaB2Ir5
_chemical_formula_sum   'Mg4 Ga2 B4 Ir10'
_cell_volume   265.09
_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
  Mg  Mg0  1  0.83  0.08  0.0  1.0
  Mg  Mg1  1  0.66  0.41  0.0  1.0
  Mg  Mg2  1  0.08  0.66  0.0  1.0
  Mg  Mg3  1  0.41  0.83  0.0  1.0
  Ga  Ga4  1  0.75  0.75  0.0  1.0
  Ga  Ga5  1  0.0  0.0  0.0  1.0
  B  B6  1  0.95  0.2  0.0  1.0
  B  B7  1  0.54  0.29  0.0  1.0
  B  B8  1  0.2  0.54  0.0  1.0
  B  B9  1  0.29  0.95  0.0  1.0
  Ir  Ir10  1  0.75  0.0  0.47  1.0
  Ir  Ir11  1  0.0  0.75  0.47  1.0
  Ir  Ir12  1  0.79  0.43  0.47  1.0
  Ir  Ir13  1  0.71  0.06  0.47  1.0
  Ir  Ir14  1  0.04  0.81  0.47  1.0
  Ir  Ir15  1  0.45  0.68  0.47  1.0
  Ir  Ir16  1  0.06  0.79  0.47  1.0
  Ir  Ir17  1  0.43  0.71  0.47  1.0
  Ir  Ir18  1  0.68  0.04  0.47  1.0
  Ir  Ir19  1  0.81  0.45  0.47  1.0

data_Mg2GaB2Ir5
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   9.49
_cell_length_c   9.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2GaB2Ir5
_chemical_formula_sum   'Mg4 Ga2 B4 Ir10'
_cell_volume   265.09
_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
  Mg  Mg0  1  -0.0  0.41  0.83  1.0
  Mg  Mg1  1  -0.0  0.66  0.41  1.0
  Mg  Mg2  1  -0.0  0.83  0.08  1.0
  Mg  Mg3  1  -0.0  0.08  0.66  1.0
  Ga  Ga4  1  -0.0  0.75  0.75  1.0
  Ga  Ga5  1  0.0  0.0  0.0  1.0
  B  B6  1  -0.0  0.29  0.95  1.0
  B  B7  1  -0.0  0.95  0.2  1.0
  B  B8  1  -0.0  0.54  0.29  1.0
  B  B9  1  -0.0  0.2  0.54  1.0
  Ir  Ir10  1  0.47  0.0  0.75  1.0
  Ir  Ir11  1  0.47  0.04  0.81  1.0
  Ir  Ir12  1  0.47  0.06  0.79  1.0
  Ir  Ir13  1  0.47  0.43  0.71  1.0
  Ir  Ir14  1  0.47  0.45  0.68  1.0
  Ir  Ir15  1  0.47  0.68  0.04  1.0
  Ir  Ir16  1  0.47  0.71  0.06  1.0
  Ir  Ir17  1  0.47  0.75  0.0  1.0
  Ir  Ir18  1  0.47  0.79  0.43  1.0
  Ir  Ir19  1  0.47  0.81  0.45  1.0

Mg Mg Mg Mg Ga Ga B B B B Ir Ir Ir Ir Ir Ir Ir Ir Ir Ir