data_SrLaTlIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   5.21
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrLaTlIr
_chemical_formula_sum   'Sr1 La1 Tl1 Ir1'
_cell_volume   99.96
_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  Sr2  1  0.0  0.0  0.0  1.0
  La  La1  1  0.84  0.84  0.84  1.0
  Tl  Tl3  1  0.68  0.68  0.68  1.0
  Ir  Ir0  1  0.53  0.53  0.53  1.0

data_SrLaTlIr
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   12.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SrLaTlIr
_chemical_formula_sum   'Sr3 La3 Tl3 Ir3'
_cell_volume   299.88
_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  0.16  1.0
  Tl  Tl2  3  0.0  0.0  0.32  1.0
  Ir  Ir3  3  0.0  0.0  0.47  1.0

Sr La Tl Ir
SrLaIrTl crystallizes in the trigonal R3m space group. Sr(1) is bonded in a 4-coordinate geometry to one La(1) and three equivalent Tl(1) atoms. The Sr(1)-La(1) bond length is 2.02 Å. All Sr(1)-Tl(1) bond lengths are 3.02 Å. La(1) is bonded to one Sr(1), three equivalent Ir(1), and one Tl(1) atom to form distorted LaSrTlIr3 trigonal bipyramids that share corners with six equivalent La(1)SrTlIr3 trigonal bipyramids and edges with three equivalent Tl(1)Sr3LaIr trigonal bipyramids. All La(1)-Ir(1) bond lengths are 3.02 Å. The La(1)-Tl(1) bond length is 2.02 Å. Ir(1) is bonded in a 4-coordinate geometry to three equivalent La(1) and one Tl(1) atom. The Ir(1)-Tl(1) bond length is 2.02 Å. Tl(1) is bonded to three equivalent Sr(1), one La(1), and one Ir(1) atom to form distorted TlSr3LaIr trigonal bipyramids that share corners with six equivalent Tl(1)Sr3LaIr trigonal bipyramids and edges with three equivalent La(1)SrTlIr3 trigonal bipyramids.