data_NaMgTlGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   5.16
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMgTlGa
_chemical_formula_sum   'Na1 Mg1 Tl1 Ga1'
_cell_volume   97.19
_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
  Na  Na2  1  0.0  0.0  0.0  1.0
  Mg  Mg1  1  0.82  0.82  0.82  1.0
  Tl  Tl3  1  0.65  0.65  0.65  1.0
  Ga  Ga0  1  0.47  0.47  0.47  1.0

data_NaMgTlGa
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   12.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   NaMgTlGa
_chemical_formula_sum   'Na3 Mg3 Tl3 Ga3'
_cell_volume   291.57
_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
  Na  Na0  3  0.0  0.0  0.0  1.0
  Mg  Mg1  3  0.0  0.0  0.18  1.0
  Tl  Tl2  3  0.0  0.0  0.35  1.0
  Ga  Ga3  3  0.0  0.0  0.53  1.0

Na Mg Tl Ga
NaMgTlGa crystallizes in the trigonal R3m space group. Na(1) is bonded in a 4-coordinate geometry to one Mg(1), three equivalent Tl(1), and three equivalent Ga(1) atoms. The Na(1)-Mg(1) bond length is 2.22 Å. All Na(1)-Tl(1) bond lengths are 2.99 Å. All Na(1)-Ga(1) bond lengths are 3.47 Å. Mg(1) is bonded to one Na(1), one Tl(1), and three equivalent Ga(1) atoms to form distorted MgNaTlGa3 trigonal bipyramids that share corners with six equivalent Mg(1)NaTlGa3 trigonal bipyramids and edges with three equivalent Tl(1)Na3MgGa trigonal bipyramids. The Mg(1)-Tl(1) bond length is 2.22 Å. All Mg(1)-Ga(1) bond lengths are 2.99 Å. Tl(1) is bonded to three equivalent Na(1), one Mg(1), and one Ga(1) atom to form TlNa3MgGa trigonal bipyramids that share corners with six equivalent Tl(1)Na3MgGa trigonal bipyramids and edges with three equivalent Mg(1)NaTlGa3 trigonal bipyramids. The Tl(1)-Ga(1) bond length is 2.22 Å. Ga(1) is bonded in a 7-coordinate geometry to three equivalent Na(1), three equivalent Mg(1), and one Tl(1) atom.