data_TlCrSnHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   5.17
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCrSnHg
_chemical_formula_sum   'Tl1 Cr1 Sn1 Hg1'
_cell_volume   97.59
_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
  Tl  Tl3  1  0.83  0.83  0.83  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.65  0.65  0.65  1.0
  Hg  Hg1  1  0.48  0.48  0.48  1.0

data_TlCrSnHg
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   12.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   TlCrSnHg
_chemical_formula_sum   'Tl3 Cr3 Sn3 Hg3'
_cell_volume   292.77
_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
  Tl  Tl0  3  0.0  0.0  0.17  1.0
  Cr  Cr1  3  0.0  0.0  0.0  1.0
  Sn  Sn2  3  0.0  0.0  0.35  1.0
  Hg  Hg3  3  0.0  0.0  0.52  1.0

Tl Cr Sn Hg
CrHgTlSn crystallizes in the trigonal R3m space group. Cr(1) is bonded to one Tl(1) and three equivalent Sn(1) atoms to form CrTlSn3 trigonal pyramids that share  a cornercorner with one Sn(1)TlCr3Hg trigonal bipyramid, corners with three equivalent Tl(1)CrSnHg3 trigonal bipyramids, corners with six equivalent Cr(1)TlSn3 trigonal pyramids, and edges with three equivalent Hg(1)Tl3Sn trigonal pyramids. The Cr(1)-Tl(1) bond length is 2.19 Å. All Cr(1)-Sn(1) bond lengths are 2.99 Å. Hg(1) is bonded to three equivalent Tl(1) and one Sn(1) atom to form HgTl3Sn trigonal pyramids that share  a cornercorner with one Tl(1)CrSnHg3 trigonal bipyramid, corners with three equivalent Sn(1)TlCr3Hg trigonal bipyramids, corners with six equivalent Hg(1)Tl3Sn trigonal pyramids, and edges with three equivalent Cr(1)TlSn3 trigonal pyramids. All Hg(1)-Tl(1) bond lengths are 2.99 Å. The Hg(1)-Sn(1) bond length is 2.19 Å. Tl(1) is bonded to one Cr(1), three equivalent Hg(1), and one Sn(1) atom to form distorted TlCrSnHg3 trigonal bipyramids that share corners with six equivalent Tl(1)CrSnHg3 trigonal bipyramids,  a cornercorner with one Hg(1)Tl3Sn trigonal pyramid, corners with three equivalent Cr(1)TlSn3 trigonal pyramids, and edges with three equivalent Sn(1)TlCr3Hg trigonal bipyramids. The Tl(1)-Sn(1) bond length is 2.19 Å. Sn(1) is bonded to three equivalent Cr(1), one Hg(1), and one Tl(1) atom to form distorted SnTlCr3Hg trigonal bipyramids that share corners with six equivalent Sn(1)TlCr3Hg trigonal bipyramids,  a cornercorner with one Cr(1)TlSn3 trigonal pyramid, corners with three equivalent Hg(1)Tl3Sn trigonal pyramids, and edges with three equivalent Tl(1)CrSnHg3 trigonal bipyramids.