data_NaTaTiGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.61
_cell_length_b   4.61
_cell_length_c   4.61
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTaTiGa
_chemical_formula_sum   'Na1 Ta1 Ti1 Ga1'
_cell_volume   69.43
_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  Na1  1  0.0  0.0  0.0  1.0
  Ta  Ta2  1  0.89  0.89  0.89  1.0
  Ti  Ti3  1  0.63  0.63  0.63  1.0
  Ga  Ga0  1  0.26  0.26  0.26  1.0

data_NaTaTiGa
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.61
_cell_length_b   4.61
_cell_length_c   11.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   NaTaTiGa
_chemical_formula_sum   'Na3 Ta3 Ti3 Ga3'
_cell_volume   208.3
_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
  Ta  Ta1  3  0.0  0.0  0.11  1.0
  Ti  Ti2  3  0.0  0.0  0.37  1.0
  Ga  Ga3  3  0.0  0.0  0.74  1.0

Na Ta Ti Ga
NaTiTaGa crystallizes in the trigonal R3m space group. Na(1) is bonded in a single-bond geometry to three equivalent Ti(1), one Ta(1), and four equivalent Ga(1) atoms. All Na(1)-Ti(1) bond lengths are 2.69 Å. The Na(1)-Ta(1) bond length is 1.21 Å. There are three shorter (2.78 Å) and one longer (2.96 Å) Na(1)-Ga(1) bond length. Ti(1) is bonded in a 10-coordinate geometry to three equivalent Na(1), four equivalent Ta(1), and three equivalent Ga(1) atoms. There are three shorter (2.78 Å) and one longer (2.96 Å) Ti(1)-Ta(1) bond length. All Ti(1)-Ga(1) bond lengths are 2.69 Å. Ta(1) is bonded in a single-bond geometry to one Na(1), four equivalent Ti(1), and three equivalent Ga(1) atoms. All Ta(1)-Ga(1) bond lengths are 2.69 Å. Ga(1) is bonded in a 10-coordinate geometry to four equivalent Na(1), three equivalent Ti(1), and three equivalent Ta(1) atoms.