data_InIrOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.82
_cell_length_b   5.82
_cell_length_c   5.82
_cell_angle_alpha   152.27
_cell_angle_beta   133.75
_cell_angle_gamma   54.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InIrOs2
_chemical_formula_sum   'In1 Ir1 Os2'
_cell_volume   65.86
_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  0.0  0.17  1.0
  Os  Os2  1  0.39  0.0  0.88  1.0
  Os  Os3  1  0.0  0.29  0.28  1.0

data_InIrOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   4.57
_cell_length_c   5.82
_cell_angle_alpha   113.13
_cell_angle_beta   103.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InIrOs2
_chemical_formula_sum   'In1 Ir1 Os2'
_cell_volume   65.86
_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
  Os  Os1  1  0.51  0.12  0.51  1.0
  Os  Os2  1  0.72  0.0  0.0  1.0
  Ir  Ir3  1  0.83  0.83  0.83  1.0

In Ir Os Os
In Ir Os Os 0 3 o o o 0 1 o o o 0 2 o o - 0 2 - o - 1 3 o o o 1 2 o o o 1 2 - o - 2 3 o - o 2 3 o o + 2 3 + o + 2 2 o + + 