data_SrIn2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   5.07
_cell_angle_alpha   121.44
_cell_angle_beta   121.44
_cell_angle_gamma   87.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrIn2Ir
_chemical_formula_sum   'Sr1 In2 Ir1'
_cell_volume   89.94
_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
  Sr  Sr3  1  0.0  0.0  0.0  1.0
  In  In0  1  0.48  0.0  0.83  1.0
  In  In1  1  0.0  0.48  0.83  1.0
  Ir  Ir2  1  0.0  0.0  0.66  1.0

data_SrIn2Ir
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.01
_cell_length_b   7.01
_cell_length_c   5.07
_cell_angle_alpha   90.0
_cell_angle_beta   133.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrIn2Ir
_chemical_formula_sum   'Sr2 In4 Ir2'
_cell_volume   179.88
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Sr  Sr0  2  0.0  0.0  0.0  1.0
  In  In1  4  0.41  0.24  0.65  1.0
  Ir  Ir2  2  0.34  0.0  0.34  1.0

Sr In In Ir