data_NaTaCoAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   4.54
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTaCoAg
_chemical_formula_sum   'Na1 Ta1 Co1 Ag1'
_cell_volume   66.01
_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
  Ta  Ta3  1  0.21  0.21  0.21  1.0
  Co  Co1  1  0.6  0.6  0.6  1.0
  Ag  Ag0  1  0.81  0.81  0.81  1.0

data_NaTaCoAg
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   11.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   NaTaCoAg
_chemical_formula_sum   'Na3 Ta3 Co3 Ag3'
_cell_volume   198.03
_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  0.79  1.0
  Co  Co2  3  0.0  0.0  0.4  1.0
  Ag  Ag3  3  0.0  0.0  0.19  1.0

Na Ta Co Ag
NaTaCoAg crystallizes in the trigonal R3m space group. Na(1) is bonded in a 5-coordinate geometry to four equivalent Ta(1), three equivalent Co(1), and one Ag(1) atom. There is one shorter (2.31 Å) and three longer (2.97 Å) Na(1)-Ta(1) bond lengths. All Na(1)-Co(1) bond lengths are 2.71 Å. The Na(1)-Ag(1) bond length is 2.09 Å. Ta(1) is bonded in a 10-coordinate geometry to four equivalent Na(1), three equivalent Co(1), and three equivalent Ag(1) atoms. All Ta(1)-Co(1) bond lengths are 2.71 Å. All Ta(1)-Ag(1) bond lengths are 2.71 Å. Co(1) is bonded in a 7-coordinate geometry to three equivalent Na(1), three equivalent Ta(1), and one Ag(1) atom. The Co(1)-Ag(1) bond length is 2.31 Å. Ag(1) is bonded in a distorted single-bond geometry to one Na(1), three equivalent Ta(1), and one Co(1) atom.