data_TlCrGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.66
_cell_length_b   4.66
_cell_length_c   4.66
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCrGe
_chemical_formula_sum   'Tl1 Cr1 Ge1'
_cell_volume   71.41
_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  Tl2  1  0.29  0.29  0.29  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.65  0.65  0.65  1.0

data_TlCrGe
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.66
_cell_length_b   4.66
_cell_length_c   11.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   TlCrGe
_chemical_formula_sum   'Tl3 Cr3 Ge3'
_cell_volume   214.23
_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  0.71  1.0
  Cr  Cr1  3  0.0  0.0  0.0  1.0
  Ge  Ge2  3  0.0  0.0  0.35  1.0

Tl Cr Ge
CrTlGe crystallizes in the trigonal R3m space group. Cr(1) is bonded to four equivalent Tl(1) and three equivalent Ge(1) atoms to form distorted CrTl4Ge3 hexagonal pyramids that share corners with three equivalent Tl(1)Cr4Ge3 hexagonal pyramids, corners with six equivalent Cr(1)Tl4Ge3 hexagonal pyramids, edges with three equivalent Tl(1)Cr4Ge3 hexagonal pyramids, and edges with six equivalent Cr(1)Tl4Ge3 hexagonal pyramids. There are three shorter (2.73 Å) and one longer (3.34 Å) Cr(1)-Tl(1) bond length. All Cr(1)-Ge(1) bond lengths are 2.70 Å. Tl(1) is bonded to four equivalent Cr(1) and three equivalent Ge(1) atoms to form distorted TlCr4Ge3 hexagonal pyramids that share corners with three equivalent Cr(1)Tl4Ge3 hexagonal pyramids, corners with six equivalent Tl(1)Cr4Ge3 hexagonal pyramids, edges with three equivalent Cr(1)Tl4Ge3 hexagonal pyramids, and edges with six equivalent Tl(1)Cr4Ge3 hexagonal pyramids. All Tl(1)-Ge(1) bond lengths are 2.70 Å. Ge(1) is bonded in a hexagonal planar geometry to three equivalent Cr(1) and three equivalent Tl(1) atoms.