data_MnTlZnGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   4.83
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnTlZnGa
_chemical_formula_sum   'Mn1 Tl1 Zn1 Ga1'
_cell_volume   79.59
_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
  Mn  Mn1  1  0.0  0.0  0.0  1.0
  Tl  Tl2  1  0.71  0.71  0.71  1.0
  Zn  Zn3  1  0.12  0.12  0.12  1.0
  Ga  Ga0  1  0.41  0.41  0.41  1.0

data_MnTlZnGa
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   11.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   MnTlZnGa
_chemical_formula_sum   'Mn3 Tl3 Zn3 Ga3'
_cell_volume   238.77
_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
  Mn  Mn0  3  0.0  0.0  0.0  1.0
  Tl  Tl1  3  0.0  0.0  0.29  1.0
  Zn  Zn2  3  0.0  0.0  0.88  1.0
  Ga  Ga3  3  0.0  0.0  0.59  1.0

Mn Tl Zn Ga
Mn Tl Zn Ga 0 2 o o o 0 1 o - - 0 1 - o - 0 1 - - o 0 3 o o - 0 3 o - o 0 3 - o o 1 3 o o + 1 3 o + o 1 3 + o o 1 2 o + + 1 2 + o + 1 2 + + o 2 3 o o - 2 3 o - o 2 3 - o o 
MnZnTlGa crystallizes in the trigonal R3m space group. Mn(1) is bonded in a single-bond geometry to one Zn(1), four equivalent Tl(1), and three equivalent Ga(1) atoms. The Mn(1)-Zn(1) bond length is 1.43 Å. There are three shorter (2.83 Å) and one longer (3.46 Å) Mn(1)-Tl(1) bond length. All Mn(1)-Ga(1) bond lengths are 2.95 Å. Zn(1) is bonded in a single-bond geometry to one Mn(1), three equivalent Tl(1), and three equivalent Ga(1) atoms. All Zn(1)-Tl(1) bond lengths are 2.95 Å. All Zn(1)-Ga(1) bond lengths are 2.83 Å. Tl(1) is bonded in a 11-coordinate geometry to four equivalent Mn(1), three equivalent Zn(1), and four equivalent Ga(1) atoms. There are three shorter (2.83 Å) and one longer (3.46 Å) Tl(1)-Ga(1) bond length. Ga(1) is bonded in a 9-coordinate geometry to three equivalent Mn(1), three equivalent Zn(1), and four equivalent Tl(1) atoms.