data_SrIn2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.69
_cell_length_b   5.69
_cell_length_c   3.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   116.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrIn2Ir
_chemical_formula_sum   'Sr1 In2 Ir1'
_cell_volume   94.46
_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  0.5  0.42  0.63  1.0
  In  In1  1  0.5  0.58  0.63  1.0
  Ir  Ir2  1  0.99  0.0  0.0  1.0

data_SrIn2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   5.69
_cell_length_c   5.69
_cell_angle_alpha   116.55
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrIn2Ir
_chemical_formula_sum   'Sr1 In2 Ir1'
_cell_volume   94.46
_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  Sr0  1  0.0  0.0  0.0  1.0
  In  In1  1  0.63  0.5  0.42  1.0
  In  In2  1  0.63  0.5  0.58  1.0
  Ir  Ir3  1  -0.0  0.99  0.0  1.0

Sr In In Ir
Sr In In Ir 0 3 - o o 1 2 o o o 