data_Ba4CrAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.07
_cell_length_b   7.07
_cell_length_c   7.07
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba4CrAg
_chemical_formula_sum   'Ba4 Cr1 Ag1'
_cell_volume   249.62
_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  Ba1  1  0.74  0.74  0.25  1.0
  Ba  Ba2  1  0.74  0.25  0.74  1.0
  Ba  Ba3  1  0.25  0.74  0.74  1.0
  Ba  Ba4  1  0.25  0.25  0.25  1.0
  Cr  Cr5  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.5  0.5  0.5  1.0

data_Ba4CrAg
_symmetry_space_group_name_H-M   R3m
_cell_length_a   7.07
_cell_length_b   7.07
_cell_length_c   17.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Ba4CrAg
_chemical_formula_sum   'Ba12 Cr3 Ag3'
_cell_volume   748.86
_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  9  0.17  0.34  0.09  1.0
  Ba  Ba1  3  0.0  0.0  0.75  1.0
  Cr  Cr2  3  0.0  0.0  0.0  1.0
  Ag  Ag3  3  0.0  0.0  0.5  1.0

Ba Ba Ba Ba Cr Ag
Ba4CrAg crystallizes in the trigonal R3m space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a linear geometry to two equivalent Ba(2), one Cr(1), and one Ag(1) atom. Both Ba(1)-Ba(2) bond lengths are 3.54 Å. The Ba(1)-Cr(1) bond length is 2.58 Å. The Ba(1)-Ag(1) bond length is 2.43 Å. In the second Ba site, Ba(2) is bonded in a 7-coordinate geometry to six equivalent Ba(1) and one Ag(1) atom. The Ba(2)-Ag(1) bond length is 4.26 Å. Cr(1) is bonded in a distorted T-shaped geometry to three equivalent Ba(1) atoms. Ag(1) is bonded in a 3-coordinate geometry to one Ba(2) and three equivalent Ba(1) atoms.