data_SrLaInIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   5.15
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrLaInIr
_chemical_formula_sum   'Sr1 La1 In1 Ir1'
_cell_volume   96.48
_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
  La  La2  1  0.82  0.82  0.82  1.0
  In  In0  1  0.46  0.46  0.46  1.0
  Ir  Ir1  1  0.64  0.64  0.64  1.0

data_SrLaInIr
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   12.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SrLaInIr
_chemical_formula_sum   'Sr3 La3 In3 Ir3'
_cell_volume   289.44
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.0  1.0
  La  La1  3  0.0  0.0  0.18  1.0
  In  In2  3  0.0  0.0  0.54  1.0
  Ir  Ir3  3  0.0  0.0  0.36  1.0

Sr La In Ir
Sr La In Ir 0 1 - - - 1 3 o o o 2 3 o o o 
SrLaIrIn crystallizes in the trigonal R3m space group. Sr(1) is bonded in a 7-coordinate geometry to one La(1), three equivalent Ir(1), and three equivalent In(1) atoms. The Sr(1)-La(1) bond length is 2.27 Å. All Sr(1)-Ir(1) bond lengths are 2.99 Å. All Sr(1)-In(1) bond lengths are 3.38 Å. La(1) is bonded in a 5-coordinate geometry to one Sr(1), one Ir(1), and three equivalent In(1) atoms. The La(1)-Ir(1) bond length is 2.27 Å. All La(1)-In(1) bond lengths are 2.99 Å. Ir(1) is bonded to three equivalent Sr(1), one La(1), and one In(1) atom to form distorted corner-sharing IrSr3LaIn trigonal bipyramids. The Ir(1)-In(1) bond length is 2.27 Å. In(1) is bonded in a 7-coordinate geometry to three equivalent Sr(1), three equivalent La(1), and one Ir(1) atom.