data_InIr5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   4.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InIr5
_chemical_formula_sum   'In1 Ir5'
_cell_volume   93.65
_cell_formula_units_Z   1
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  0.0  0.0  1.0
  Ir  Ir1  1  0.07  0.0  0.28  1.0
  Ir  Ir2  1  0.9  0.56  0.28  1.0
  Ir  Ir3  1  0.46  0.66  0.28  1.0
  Ir  Ir4  1  0.44  0.41  0.0  1.0
  Ir  Ir5  1  0.0  0.81  0.0  1.0

data_InIr5
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.56
_cell_length_b   4.87
_cell_length_c   4.87
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InIr5
_chemical_formula_sum   'In1 Ir5'
_cell_volume   93.65
_cell_formula_units_Z   1
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  0.0  0.0  1.0
  Ir  Ir1  1  -0.0  0.44  0.41  1.0
  Ir  Ir2  1  -0.0  0.0  0.81  1.0
  Ir  Ir3  1  0.28  0.07  0.0  1.0
  Ir  Ir4  1  0.28  0.46  0.66  1.0
  Ir  Ir5  1  0.28  0.9  0.56  1.0

In Ir Ir Ir Ir Ir
In Ir Ir Ir Ir Ir 0 5 o - o 0 1 o o o 0 4 o o o 1 5 o - o 1 2 - - o 2 5 + o o 3 4 o o o 