data_TlCrGa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.11
_cell_length_b   3.11
_cell_length_c   8.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCrGa2
_chemical_formula_sum   'Tl1 Cr1 Ga2'
_cell_volume   77.37
_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  0.0  0.0  0.0  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.55  0.55  0.32  1.0
  Ga  Ga2  1  0.55  0.55  0.68  1.0

data_TlCrGa2
_symmetry_space_group_name_H-M   Amm2
_cell_length_a   8.0
_cell_length_b   4.4
_cell_length_c   4.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   38
_chemical_formula_structural   TlCrGa2
_chemical_formula_sum   'Tl2 Cr2 Ga4'
_cell_volume   154.75
_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, y, z'
  4  'x, -y, z'
  5  'x, y+1/2, z+1/2'
  6  '-x, -y+1/2, z+1/2'
  7  '-x, y+1/2, z+1/2'
  8  'x, -y+1/2, z+1/2'
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  0.0  0.0  0.0  1.0
  Cr  Cr1  2  0.0  0.0  0.0  1.0
  Ga  Ga2  4  0.32  0.0  0.55  1.0

Tl Cr Ga Ga 0 1 o o o 0 2 o o o 0 2 o - o 0 2 - o o 0 2 - - o 0 3 o o - 0 3 o - - 0 3 - o - 0 3 - - - 1 2 o o o 1 2 o - o 1 2 - o o 1 2 - - o 1 3 o o - 1 3 o - - 1 3 - o - 1 3 - - - 2 2 + o o 2 2 o + o 2 3 o o o 3 3 + o o 3 3 o + o 
CrTlGa2 crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 6-coordinate geometry to three equivalent Cr(1); two equivalent Tl(1); and four Ga(1,1,1,1) atoms. All Cr(1)-Cr(1) bond lengths are 3.11 Å. Both Cr(1)-Tl(1) bond lengths are 3.11 Å. There are two shorter (3.25 Å) and two longer (3.41 Å) Cr(1)-Ga(1,1,1,1) bond lengths. In the second Cr site, Cr(1) is bonded in a 6-coordinate geometry to three equivalent Cr(1); three equivalent Tl(1); and two Ga(1,1) atoms. All Cr(1)-Tl(1) bond lengths are 3.11 Å. Both Cr(1)-Ga(1,1) bond lengths are 3.25 Å. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 10-coordinate geometry to three equivalent Cr(1); four equivalent Tl(1); and six Ga(1,1,1,1) atoms. All Tl(1)-Tl(1) bond lengths are 3.11 Å. There are two shorter (3.25 Å) and four longer (3.41 Å) Tl(1)-Ga(1,1,1,1) bond lengths. In the second Tl site, Tl(1) is bonded in a 10-coordinate geometry to two equivalent Cr(1); four equivalent Tl(1); and six Ga(1,1,1,1) atoms. There are two shorter (3.25 Å) and four longer (3.41 Å) Tl(1)-Ga(1,1,1,1) bond lengths. There are four inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 6-coordinate geometry to one Cr(1); three Tl(1,1); and five Ga(1,1) atoms. There is one shorter (2.81 Å) and four longer (3.11 Å) Ga(1)-Ga(1,1) bond lengths. In the second Ga site, Ga(1) is bonded in a 8-coordinate geometry to one Cr(1); three Tl(1,1); and five Ga(1,1) atoms. All Ga(1)-Ga(1) bond lengths are 3.11 Å. In the third Ga site, Ga(1) is bonded in a 8-coordinate geometry to two Cr(1,1); three Tl(1,1); and five Ga(1,1) atoms. The Ga(1)-Ga(1) bond length is 2.81 Å. In the fourth Ga site, Ga(1) is bonded in a 8-coordinate geometry to two Cr(1,1); three Tl(1,1); and five Ga(1,1) atoms.