data_MgTlInGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   5.2
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTlInGa
_chemical_formula_sum   'Mg1 Tl1 In1 Ga1'
_cell_volume   99.21
_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
  Mg  Mg2  1  0.0  0.0  0.0  1.0
  Tl  Tl3  1  0.84  0.84  0.84  1.0
  In  In1  1  0.67  0.67  0.67  1.0
  Ga  Ga0  1  0.51  0.51  0.51  1.0

data_MgTlInGa
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   12.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   MgTlInGa
_chemical_formula_sum   'Mg3 Tl3 In3 Ga3'
_cell_volume   297.63
_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
  Mg  Mg0  3  0.0  0.0  0.0  1.0
  Tl  Tl1  3  0.0  0.0  0.16  1.0
  In  In2  3  0.0  0.0  0.33  1.0
  Ga  Ga3  3  0.0  0.0  0.49  1.0

Mg Tl In Ga
MgTlInGa crystallizes in the trigonal R3m space group. Mg(1) is bonded to one Tl(1) and three equivalent In(1) atoms to form distorted MgTlIn3 trigonal pyramids that share  a cornercorner with one In(1)Mg3TlGa trigonal bipyramid, corners with three equivalent Tl(1)MgInGa3 trigonal bipyramids, corners with six equivalent Mg(1)TlIn3 trigonal pyramids, and edges with three equivalent Ga(1)Tl3In trigonal pyramids. The Mg(1)-Tl(1) bond length is 2.07 Å. All Mg(1)-In(1) bond lengths are 3.00 Å. Tl(1) is bonded to one Mg(1), one In(1), and three equivalent Ga(1) atoms to form distorted TlMgInGa3 trigonal bipyramids that share corners with six equivalent Tl(1)MgInGa3 trigonal bipyramids,  a cornercorner with one Ga(1)Tl3In trigonal pyramid, corners with three equivalent Mg(1)TlIn3 trigonal pyramids, and edges with three equivalent In(1)Mg3TlGa trigonal bipyramids. The Tl(1)-In(1) bond length is 2.07 Å. All Tl(1)-Ga(1) bond lengths are 3.00 Å. In(1) is bonded to three equivalent Mg(1), one Tl(1), and one Ga(1) atom to form InMg3TlGa trigonal bipyramids that share corners with six equivalent In(1)Mg3TlGa trigonal bipyramids,  a cornercorner with one Mg(1)TlIn3 trigonal pyramid, corners with three equivalent Ga(1)Tl3In trigonal pyramids, and edges with three equivalent Tl(1)MgInGa3 trigonal bipyramids. The In(1)-Ga(1) bond length is 2.07 Å. Ga(1) is bonded to three equivalent Tl(1) and one In(1) atom to form GaTl3In trigonal pyramids that share  a cornercorner with one Tl(1)MgInGa3 trigonal bipyramid, corners with three equivalent In(1)Mg3TlGa trigonal bipyramids, corners with six equivalent Ga(1)Tl3In trigonal pyramids, and edges with three equivalent Mg(1)TlIn3 trigonal pyramids.