data_In2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.96
_cell_length_b   6.96
_cell_length_c   13.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2Ir
_chemical_formula_sum   'In16 Ir8'
_cell_volume   580.71
_cell_formula_units_Z   8
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
  In  In0  1  0.0  0.02  0.88  1.0
  In  In1  1  0.48  0.01  0.97  1.0
  In  In2  1  0.48  0.01  0.96  1.0
  In  In3  1  0.0  0.02  0.89  1.0
  In  In4  1  0.74  0.01  0.92  1.0
  In  In5  1  0.48  0.0  0.92  1.0
  In  In6  1  0.26  0.01  0.92  1.0
  In  In7  1  0.74  0.01  0.0  1.0
  In  In8  1  0.48  0.0  0.0  1.0
  In  In9  1  0.26  0.01  0.0  1.0
  In  In10  1  0.96  0.19  0.39  1.0
  In  In11  1  0.0  0.67  0.39  1.0
  In  In12  1  0.04  0.19  0.39  1.0
  In  In13  1  0.52  0.83  0.46  1.0
  In  In14  1  0.48  0.36  0.46  1.0
  In  In15  1  0.44  0.83  0.46  1.0
  Ir  Ir16  1  0.0  0.0  0.2  1.0
  Ir  Ir17  1  0.0  0.0  0.64  1.0
  Ir  Ir18  1  0.0  0.0  0.28  1.0
  Ir  Ir19  1  0.0  0.0  0.57  1.0
  Ir  Ir20  1  0.0  0.02  0.19  1.0
  Ir  Ir21  1  0.48  0.01  0.65  1.0
  Ir  Ir22  1  0.48  0.01  0.12  1.0
  Ir  Ir23  1  0.0  0.02  0.73  1.0

data_In2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.96
_cell_length_b   6.96
_cell_length_c   13.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2Ir
_chemical_formula_sum   'In16 Ir8'
_cell_volume   580.71
_cell_formula_units_Z   8
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
  In  In0  1  -0.0  0.67  0.39  1.0
  In  In1  1  -0.0  0.02  0.88  1.0
  In  In2  1  -0.0  0.02  0.89  1.0
  In  In3  1  0.04  0.19  0.39  1.0
  In  In4  1  0.26  0.01  0.0  1.0
  In  In5  1  0.26  0.01  0.92  1.0
  In  In6  1  0.44  0.83  0.46  1.0
  In  In7  1  0.48  0.36  0.46  1.0
  In  In8  1  0.48  0.0  0.0  1.0
  In  In9  1  0.48  0.0  0.92  1.0
  In  In10  1  0.48  0.01  0.96  1.0
  In  In11  1  0.48  0.01  0.97  1.0
  In  In12  1  0.52  0.83  0.46  1.0
  In  In13  1  0.74  0.01  0.0  1.0
  In  In14  1  0.74  0.01  0.92  1.0
  In  In15  1  0.96  0.19  0.39  1.0
  Ir  Ir16  1  -0.0  0.02  0.19  1.0
  Ir  Ir17  1  -0.0  0.02  0.73  1.0
  Ir  Ir18  1  0.0  0.0  0.2  1.0
  Ir  Ir19  1  0.0  0.0  0.28  1.0
  Ir  Ir20  1  0.0  0.0  0.57  1.0
  Ir  Ir21  1  0.0  0.0  0.64  1.0
  Ir  Ir22  1  0.48  0.01  0.12  1.0
  Ir  Ir23  1  0.48  0.01  0.65  1.0

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