data_NaLiYTa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   5.18
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLiYTa
_chemical_formula_sum   'Na1 Li1 Y1 Ta1'
_cell_volume   98.48
_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  0.5  0.5  0.5  1.0
  Li  Li0  1  0.0  0.0  0.0  1.0
  Y  Y3  1  0.83  0.83  0.83  1.0
  Ta  Ta2  1  0.67  0.67  0.67  1.0

data_NaLiYTa
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   12.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   NaLiYTa
_chemical_formula_sum   'Na3 Li3 Y3 Ta3'
_cell_volume   295.44
_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  0.5  1.0
  Li  Li1  3  0.0  0.0  0.0  1.0
  Y  Y2  3  0.0  0.0  0.17  1.0
  Ta  Ta3  3  0.0  0.0  0.33  1.0

Na Li Y Ta
NaLiYTa crystallizes in the trigonal R3m space group. Na(1) is bonded in a distorted single-bond geometry to three equivalent Y(1) and one Ta(1) atom. All Na(1)-Y(1) bond lengths are 2.99 Å. The Na(1)-Ta(1) bond length is 2.13 Å. Li(1) is bonded to one Y(1) and three equivalent Ta(1) atoms to form distorted LiYTa3 trigonal pyramids that share  a cornercorner with one Ta(1)NaLi3Y trigonal bipyramid, corners with three equivalent Y(1)Na3LiTa trigonal bipyramids, and corners with six equivalent Li(1)YTa3 trigonal pyramids. The Li(1)-Y(1) bond length is 2.13 Å. All Li(1)-Ta(1) bond lengths are 2.99 Å. Y(1) is bonded to three equivalent Na(1), one Li(1), and one Ta(1) atom to form distorted YNa3LiTa trigonal bipyramids that share corners with six equivalent Y(1)Na3LiTa trigonal bipyramids, corners with three equivalent Li(1)YTa3 trigonal pyramids, and edges with three equivalent Ta(1)NaLi3Y trigonal bipyramids. The Y(1)-Ta(1) bond length is 2.13 Å. Ta(1) is bonded to one Na(1), three equivalent Li(1), and one Y(1) atom to form distorted TaNaLi3Y trigonal bipyramids that share corners with six equivalent Ta(1)NaLi3Y trigonal bipyramids,  a cornercorner with one Li(1)YTa3 trigonal pyramid, and edges with three equivalent Y(1)Na3LiTa trigonal bipyramids.