data_Ba2Ge5Ir4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.68
_cell_length_b   6.68
_cell_length_c   11.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   61.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2Ge5Ir4
_chemical_formula_sum   'Ba4 Ge10 Ir8'
_cell_volume   462.52
_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
  Ba  Ba0  1  0.31  0.0  0.87  1.0
  Ba  Ba1  1  0.31  0.0  0.0  1.0
  Ba  Ba2  1  0.14  0.0  0.87  1.0
  Ba  Ba3  1  0.14  0.0  0.0  1.0
  Ge  Ge4  1  0.54  0.36  0.93  1.0
  Ge  Ge5  1  0.54  0.64  0.8  1.0
  Ge  Ge6  1  0.92  0.64  0.8  1.0
  Ge  Ge7  1  0.92  0.36  0.93  1.0
  Ge  Ge8  1  0.73  0.91  0.03  1.0
  Ge  Ge9  1  0.73  0.09  0.71  1.0
  Ge  Ge10  1  0.73  0.91  0.84  1.0
  Ge  Ge11  1  0.73  0.09  0.9  1.0
  Ge  Ge12  1  0.73  0.71  0.93  1.0
  Ge  Ge13  1  0.73  0.29  0.8  1.0
  Ir  Ir14  1  0.12  0.99  0.93  1.0
  Ir  Ir15  1  0.12  0.01  0.8  1.0
  Ir  Ir16  1  0.33  0.01  0.8  1.0
  Ir  Ir17  1  0.33  0.99  0.93  1.0
  Ir  Ir18  1  0.73  0.34  0.29  1.0
  Ir  Ir19  1  0.73  0.66  0.45  1.0
  Ir  Ir20  1  0.73  0.34  0.58  1.0
  Ir  Ir21  1  0.73  0.66  0.15  1.0

data_Ba2Ge5Ir4
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.68
_cell_length_b   6.68
_cell_length_c   11.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   118.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2Ge5Ir4
_chemical_formula_sum   'Ba4 Ge10 Ir8'
_cell_volume   462.52
_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
  Ba  Ba0  1  0.14  0.0  0.0  1.0
  Ba  Ba1  1  0.14  0.0  0.13  1.0
  Ba  Ba2  1  0.31  0.0  0.0  1.0
  Ba  Ba3  1  0.31  0.0  0.13  1.0
  Ge  Ge4  1  0.54  0.36  0.2  1.0
  Ge  Ge5  1  0.54  0.64  0.07  1.0
  Ge  Ge6  1  0.73  0.09  0.16  1.0
  Ge  Ge7  1  0.73  0.09  0.97  1.0
  Ge  Ge8  1  0.73  0.29  0.07  1.0
  Ge  Ge9  1  0.73  0.71  0.2  1.0
  Ge  Ge10  1  0.73  0.91  0.1  1.0
  Ge  Ge11  1  0.73  0.91  0.29  1.0
  Ge  Ge12  1  0.92  0.36  0.2  1.0
  Ge  Ge13  1  0.92  0.64  0.07  1.0
  Ir  Ir14  1  0.12  0.01  0.07  1.0
  Ir  Ir15  1  0.12  0.99  0.2  1.0
  Ir  Ir16  1  0.33  0.01  0.07  1.0
  Ir  Ir17  1  0.33  0.99  0.2  1.0
  Ir  Ir18  1  0.73  0.34  0.55  1.0
  Ir  Ir19  1  0.73  0.34  0.85  1.0
  Ir  Ir20  1  0.73  0.66  0.42  1.0
  Ir  Ir21  1  0.73  0.66  0.71  1.0

Ba Ba Ba Ba Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ir Ir Ir Ir Ir Ir Ir Ir