data_BaNaAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46
_cell_length_b   5.46
_cell_length_c   5.46
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNaAg2
_chemical_formula_sum   'Ba1 Na1 Ag2'
_cell_volume   114.93
_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
  Ba  Ba2  1  0.93  0.93  0.93  1.0
  Na  Na3  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.79  0.79  0.79  1.0
  Ag  Ag1  1  0.86  0.86  0.86  1.0

data_BaNaAg2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.46
_cell_length_b   5.46
_cell_length_c   13.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   BaNaAg2
_chemical_formula_sum   'Ba3 Na3 Ag6'
_cell_volume   344.78
_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
  Ba  Ba0  3  0.0  0.0  0.07  1.0
  Na  Na1  3  0.0  0.0  0.0  1.0
  Ag  Ag2  3  0.0  0.0  0.14  1.0
  Ag  Ag3  3  0.0  0.0  0.21  1.0

Ba Na Ag Ag
NaBaAg2 crystallizes in the trigonal R3m space group. Na(1) is bonded to one Ba(1) and three equivalent Ag(1) atoms to form distorted corner-sharing NaBaAg3 tetrahedra. The Na(1)-Ba(1) bond length is 0.94 Å. All Na(1)-Ag(1) bond lengths are 3.55 Å. Ba(1) is bonded in a linear geometry to one Na(1) and one Ag(2) atom. The Ba(1)-Ag(2) bond length is 0.94 Å. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded to three equivalent Na(1) and one Ag(2) atom to form distorted corner-sharing AgNa3Ag tetrahedra. The Ag(1)-Ag(2) bond length is 0.94 Å. In the second Ag site, Ag(2) is bonded in a distorted linear geometry to one Ba(1) and one Ag(1) atom.