data_TlCr2Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.96
_cell_length_b   2.96
_cell_length_c   7.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCr2Ga
_chemical_formula_sum   'Tl1 Cr2 Ga1'
_cell_volume   67.23
_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
  Tl  Tl3  1  0.48  0.48  0.05  1.0
  Cr  Cr0  1  0.0  0.0  0.52  1.0
  Cr  Cr1  1  0.48  0.48  0.7  1.0
  Ga  Ga2  1  0.0  0.0  0.25  1.0

data_TlCr2Ga
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.19
_cell_length_b   4.19
_cell_length_c   7.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TlCr2Ga
_chemical_formula_sum   'Tl2 Cr4 Ga2'
_cell_volume   134.46
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  Tl0  2  0.48  0.0  0.05  1.0
  Cr  Cr1  2  0.0  0.0  0.52  1.0
  Cr  Cr2  2  0.48  0.0  0.7  1.0
  Ga  Ga3  2  0.0  0.0  0.25  1.0

Tl Cr Cr Ga
Cr2TlGa crystallizes in the monoclinic Cm space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a distorted single-bond geometry to four equivalent Cr(2) and one Ga(1) atom. There are a spread of Cr(1)-Cr(2) bond distances ranging from 2.44-2.58 Å. The Cr(1)-Ga(1) bond length is 2.06 Å. In the second Cr site, Cr(2) is bonded in a 9-coordinate geometry to four equivalent Cr(1), four equivalent Cr(2), and one Tl(1) atom. All Cr(2)-Cr(2) bond lengths are 2.96 Å. The Cr(2)-Tl(1) bond length is 2.71 Å. Tl(1) is bonded in a 5-coordinate geometry to one Cr(2) and four equivalent Ga(1) atoms. There are a spread of Tl(1)-Ga(1) bond distances ranging from 2.52-2.65 Å. Ga(1) is bonded in a 5-coordinate geometry to one Cr(1) and four equivalent Tl(1) atoms.