data_SrAlTlNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   5.02
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrAlTlNi
_chemical_formula_sum   'Sr1 Al1 Tl1 Ni1'
_cell_volume   89.5
_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  0.55  0.55  0.55  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Tl  Tl3  1  0.78  0.78  0.78  1.0
  Ni  Ni1  1  0.33  0.33  0.33  1.0

data_SrAlTlNi
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   12.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SrAlTlNi
_chemical_formula_sum   'Sr3 Al3 Tl3 Ni3'
_cell_volume   268.49
_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  0.45  1.0
  Al  Al1  3  0.0  0.0  0.0  1.0
  Tl  Tl2  3  0.0  0.0  0.22  1.0
  Ni  Ni3  3  0.0  0.0  0.67  1.0

Sr Al Tl Ni
SrNiTlAl crystallizes in the trigonal R3m space group. Sr(1) is bonded in a 11-coordinate geometry to four equivalent Ni(1), four equivalent Tl(1), and three equivalent Al(1) atoms. There is one shorter (2.77 Å) and three longer (3.19 Å) Sr(1)-Ni(1) bond lengths. There is one shorter (2.77 Å) and three longer (3.19 Å) Sr(1)-Tl(1) bond lengths. All Sr(1)-Al(1) bond lengths are 3.23 Å. Ni(1) is bonded in a 10-coordinate geometry to four equivalent Sr(1), three equivalent Tl(1), and three equivalent Al(1) atoms. All Ni(1)-Tl(1) bond lengths are 3.23 Å. All Ni(1)-Al(1) bond lengths are 2.90 Å. Tl(1) is bonded in a 11-coordinate geometry to four equivalent Sr(1), three equivalent Ni(1), and four equivalent Al(1) atoms. There is one shorter (2.77 Å) and three longer (3.19 Å) Tl(1)-Al(1) bond lengths. Al(1) is bonded in a 10-coordinate geometry to three equivalent Sr(1), three equivalent Ni(1), and four equivalent Tl(1) atoms.