data_ScMnTlCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.61
_cell_length_b   4.61
_cell_length_c   4.61
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScMnTlCr
_chemical_formula_sum   'Sc1 Mn1 Tl1 Cr1'
_cell_volume   69.23
_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
  Sc  Sc2  1  0.0  0.0  0.0  1.0
  Mn  Mn1  1  0.63  0.63  0.63  1.0
  Tl  Tl3  1  0.26  0.26  0.26  1.0
  Cr  Cr0  1  0.89  0.89  0.89  1.0

data_ScMnTlCr
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.61
_cell_length_b   4.61
_cell_length_c   11.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   ScMnTlCr
_chemical_formula_sum   'Sc3 Mn3 Tl3 Cr3'
_cell_volume   207.7
_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
  Sc  Sc0  3  0.0  0.0  0.0  1.0
  Mn  Mn1  3  0.0  0.0  0.37  1.0
  Tl  Tl2  3  0.0  0.0  0.74  1.0
  Cr  Cr3  3  0.0  0.0  0.11  1.0

Sc Mn Tl Cr
Sc Mn Tl Cr 0 3 - - - 0 1 o - - 0 1 - o - 0 1 - - o 0 2 o o o 0 2 o o - 0 2 o - o 0 2 - o o 1 2 o o + 1 2 o + o 1 2 + o o 1 3 - o o 1 3 o - o 1 3 o o - 1 3 o o o 2 3 - - o 2 3 - o - 2 3 o - - 
ScCrMnTl crystallizes in the trigonal R3m space group. Sc(1) is bonded in a single-bond geometry to one Cr(1), three equivalent Mn(1), and four equivalent Tl(1) atoms. The Sc(1)-Cr(1) bond length is 1.26 Å. All Sc(1)-Mn(1) bond lengths are 2.69 Å. There are three shorter (2.79 Å) and one longer (2.93 Å) Sc(1)-Tl(1) bond length. Cr(1) is bonded in a single-bond geometry to one Sc(1), four equivalent Mn(1), and three equivalent Tl(1) atoms. There are three shorter (2.79 Å) and one longer (2.93 Å) Cr(1)-Mn(1) bond length. All Cr(1)-Tl(1) bond lengths are 2.69 Å. Mn(1) is bonded in a 10-coordinate geometry to three equivalent Sc(1), four equivalent Cr(1), and three equivalent Tl(1) atoms. All Mn(1)-Tl(1) bond lengths are 2.69 Å. Tl(1) is bonded in a 10-coordinate geometry to four equivalent Sc(1), three equivalent Cr(1), and three equivalent Mn(1) atoms.