data_Ba2In13Ir4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.91
_cell_length_b   14.91
_cell_length_c   13.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   162.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2In13Ir4
_chemical_formula_sum   'Ba4 In26 Ir8'
_cell_volume   931.93
_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  0.27  0.68  0.96  1.0
  Ba  Ba1  1  0.27  0.82  0.44  1.0
  Ba  Ba2  1  0.27  0.32  1.0  1.0
  Ba  Ba3  1  0.27  0.18  0.48  1.0
  In  In4  1  0.27  0.42  0.01  1.0
  In  In5  1  0.27  0.93  0.92  1.0
  In  In6  1  0.27  0.39  0.25  1.0
  In  In7  1  0.27  0.71  0.8  1.0
  In  In8  1  0.27  0.7  0.63  1.0
  In  In9  1  0.27  0.38  0.13  1.0
  In  In10  1  0.27  0.66  0.16  1.0
  In  In11  1  0.27  0.35  0.95  1.0
  In  In12  1  0.27  0.58  0.96  1.0
  In  In13  1  0.27  0.1  0.97  1.0
  In  In14  1  0.27  0.61  0.21  1.0
  In  In15  1  0.27  0.9  0.01  1.0
  In  In16  1  0.27  0.38  0.46  1.0
  In  In17  1  0.27  0.27  0.95  1.0
  In  In18  1  0.27  0.73  0.99  1.0
  In  In19  1  0.27  0.41  0.92  1.0
  In  In20  1  0.27  0.07  0.96  1.0
  In  In21  1  0.27  0.29  0.76  1.0
  In  In22  1  0.27  0.62  0.5  1.0
  In  In23  1  0.27  0.62  0.17  1.0
  In  In24  1  0.27  0.34  0.2  1.0
  In  In25  1  0.27  0.37  0.99  1.0
  In  In26  1  0.27  0.65  0.99  1.0
  In  In27  1  0.27  0.3  0.67  1.0
  In  In28  1  0.27  0.59  0.88  1.0
  In  In29  1  0.27  0.63  0.95  1.0
  Ir  Ir30  1  0.27  0.36  0.44  1.0
  Ir  Ir31  1  0.27  0.41  0.78  1.0
  Ir  Ir32  1  0.27  0.55  0.68  1.0
  Ir  Ir33  1  0.27  0.39  0.11  1.0
  Ir  Ir34  1  0.27  0.64  0.48  1.0
  Ir  Ir35  1  0.27  0.59  0.82  1.0
  Ir  Ir36  1  0.27  0.45  0.64  1.0
  Ir  Ir37  1  0.27  0.61  0.15  1.0

data_Ba2In13Ir4
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.54
_cell_length_b   13.92
_cell_length_c   14.91
_cell_angle_alpha   90.0
_cell_angle_beta   98.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2In13Ir4
_chemical_formula_sum   'Ba4 In26 Ir8'
_cell_volume   931.93
_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  0.18  0.52  0.91  1.0
  Ba  Ba1  1  0.32  0.0  0.04  1.0
  Ba  Ba2  1  0.68  0.04  0.41  1.0
  Ba  Ba3  1  0.82  0.56  0.55  1.0
  In  In4  1  0.07  0.04  0.8  1.0
  In  In5  1  0.1  0.03  0.83  1.0
  In  In6  1  0.27  0.05  1.0  1.0
  In  In7  1  0.29  0.24  0.02  1.0
  In  In8  1  0.3  0.33  0.03  1.0
  In  In9  1  0.34  0.8  0.07  1.0
  In  In10  1  0.35  0.05  0.08  1.0
  In  In11  1  0.37  0.01  0.1  1.0
  In  In12  1  0.38  0.87  0.1  1.0
  In  In13  1  0.38  0.54  0.11  1.0
  In  In14  1  0.39  0.75  0.12  1.0
  In  In15  1  0.41  0.08  0.14  1.0
  In  In16  1  0.42  0.99  0.15  1.0
  In  In17  1  0.58  0.04  0.31  1.0
  In  In18  1  0.59  0.12  0.32  1.0
  In  In19  1  0.61  0.79  0.34  1.0
  In  In20  1  0.62  0.5  0.35  1.0
  In  In21  1  0.62  0.83  0.35  1.0
  In  In22  1  0.63  0.05  0.35  1.0
  In  In23  1  0.65  0.01  0.38  1.0
  In  In24  1  0.66  0.84  0.39  1.0
  In  In25  1  0.7  0.37  0.43  1.0
  In  In26  1  0.71  0.2  0.44  1.0
  In  In27  1  0.73  0.01  0.46  1.0
  In  In28  1  0.9  0.99  0.63  1.0
  In  In29  1  0.93  0.08  0.65  1.0
  Ir  Ir30  1  0.36  0.56  0.09  1.0
  Ir  Ir31  1  0.39  0.89  0.12  1.0
  Ir  Ir32  1  0.41  0.22  0.14  1.0
  Ir  Ir33  1  0.45  0.36  0.18  1.0
  Ir  Ir34  1  0.55  0.32  0.28  1.0
  Ir  Ir35  1  0.59  0.18  0.31  1.0
  Ir  Ir36  1  0.61  0.85  0.34  1.0
  Ir  Ir37  1  0.64  0.52  0.37  1.0

Ba Ba Ba Ba In In In In In In In In In In In In In In In In In In In In In In In In In In Ir Ir Ir Ir Ir Ir Ir Ir