data_SrInIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46
_cell_length_b   5.46
_cell_length_c   5.46
_cell_angle_alpha   135.11
_cell_angle_beta   135.11
_cell_angle_gamma   65.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrInIr2
_chemical_formula_sum   'Sr1 In1 Ir2'
_cell_volume   79.89
_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  0.08  0.0  0.3  1.0
  Ir  Ir1  1  0.0  0.0  0.6  1.0
  Ir  Ir2  1  0.0  0.08  0.3  1.0

data_SrInIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.17
_cell_length_b   4.17
_cell_length_c   5.46
_cell_angle_alpha   112.45
_cell_angle_beta   112.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrInIr2
_chemical_formula_sum   'Sr1 In1 Ir2'
_cell_volume   79.89
_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  0.3  0.21  0.21  1.0
  Ir  Ir2  1  0.21  0.3  0.21  1.0
  Ir  Ir3  1  0.6  0.6  0.6  1.0

Sr In Ir Ir