data_BaMnAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   5.24
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMnAg2
_chemical_formula_sum   'Ba1 Mn1 Ag2'
_cell_volume   101.59
_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  0.56  0.56  0.56  1.0
  Mn  Mn3  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.85  0.85  0.85  1.0
  Ag  Ag1  1  0.7  0.7  0.7  1.0

data_BaMnAg2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   12.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   BaMnAg2
_chemical_formula_sum   'Ba3 Mn3 Ag6'
_cell_volume   304.77
_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  0.44  1.0
  Mn  Mn1  3  0.0  0.0  -0.0  1.0
  Ag  Ag2  3  0.0  0.0  0.15  1.0
  Ag  Ag3  3  0.0  0.0  0.3  1.0

Ba Mn Ag Ag
BaMnAg2 crystallizes in the trigonal R3m space group. Ba(1) is bonded in a distorted single-bond geometry to one Ag(2) and three equivalent Ag(1) atoms. The Ba(1)-Ag(2) bond length is 1.90 Å. All Ba(1)-Ag(1) bond lengths are 3.06 Å. Mn(1) is bonded in a distorted single-bond geometry to one Ag(1) atom. The Mn(1)-Ag(1) bond length is 1.90 Å. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded to three equivalent Ba(1), one Mn(1), and one Ag(2) atom to form distorted corner-sharing AgBa3MnAg trigonal bipyramids. The Ag(1)-Ag(2) bond length is 1.90 Å. In the second Ag site, Ag(2) is bonded in a distorted single-bond geometry to one Ba(1) and one Ag(1) atom.