data_SrTl2In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01
_cell_length_b   5.01
_cell_length_c   4.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTl2In
_chemical_formula_sum   'Sr1 Tl2 In1'
_cell_volume   122.7
_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  Sr1  1  0.0  0.0  0.0  1.0
  Tl  Tl2  1  0.0  0.5  0.45  1.0
  Tl  Tl3  1  0.5  0.0  0.45  1.0
  In  In0  1  0.5  0.5  0.0  1.0

data_SrTl2In
_symmetry_space_group_name_H-M   P4mm
_cell_length_a   5.01
_cell_length_b   5.01
_cell_length_c   4.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   99
_chemical_formula_structural   SrTl2In
_chemical_formula_sum   'Sr1 Tl2 In1'
_cell_volume   122.7
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x, z'
  3  '-x, -y, z'
  4  'y, -x, z'
  5  '-x, y, z'
  6  'y, x, z'
  7  'x, -y, z'
  8  '-y, -x, 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
  Tl  Tl1  2  0.0  0.5  0.45  1.0
  In  In2  1  0.5  0.5  0.0  1.0

Sr Tl Tl In
Sr Tl Tl In 0 3 - - o 0 3 - o o 0 3 o - o 0 3 o o o 0 2 - o - 0 2 - o o 0 2 o o - 0 2 o o o 0 1 o - - 0 1 o - o 0 1 o o - 0 1 o o o 1 2 - o o 1 2 - + o 1 2 o o o 1 2 o + o 1 3 - o o 1 3 - o + 1 3 o o o 1 3 o o + 2 3 o - o 2 3 o - + 2 3 o o o 2 3 o o + 
SrTl2In crystallizes in the monoclinic Cm space group. Sr(1) is bonded to eight equivalent Tl(1) and four equivalent In(1) atoms to form a mixture of face and corner-sharing SrTl8In4 cuboctahedra. There are a spread of Sr(1)-Tl(1) bond distances ranging from 3.31-3.70 Å. There are a spread of Sr(1)-In(1) bond distances ranging from 3.51-3.57 Å. Tl(1) is bonded in a 6-coordinate geometry to four equivalent Sr(1) and two equivalent In(1) atoms. There is one shorter (3.31 Å) and one longer (3.34 Å) Tl(1)-In(1) bond length. In(1) is bonded in a 8-coordinate geometry to four equivalent Sr(1) and four equivalent Tl(1) atoms.