data_BaMnAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   6.3
_cell_angle_alpha   107.67
_cell_angle_beta   107.67
_cell_angle_gamma   52.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMnAg2
_chemical_formula_sum   'Ba1 Mn1 Ag2'
_cell_volume   111.36
_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  0.29  0.0  0.05  1.0
  Mn  Mn3  1  0.02  0.0  0.4  1.0
  Ag  Ag0  1  0.96  0.0  0.21  1.0
  Ag  Ag1  1  0.66  0.0  0.23  1.0

data_BaMnAg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.29
_cell_length_b   4.87
_cell_length_c   6.3
_cell_angle_alpha   107.67
_cell_angle_beta   90.0
_cell_angle_gamma   116.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMnAg2
_chemical_formula_sum   'Ba1 Mn1 Ag2'
_cell_volume   111.36
_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  Ba0  1  0.0  0.71  0.95  1.0
  Mn  Mn1  1  0.0  0.98  0.6  1.0
  Ag  Ag2  1  0.0  0.04  0.79  1.0
  Ag  Ag3  1  0.0  0.34  0.77  1.0

Ba Mn Ag Ag
Ba Mn Ag Ag 0 3 o o o 1 2 - o o 1 3 - o o 2 3 o o o 
BaMnAg2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one BaMnAg2 cluster. Ba(1) is bonded in a distorted bent 120 degrees geometry to one Ag(1) and one Ag(2) atom. The Ba(1)-Ag(1) bond length is 2.17 Å. The Ba(1)-Ag(2) bond length is 1.79 Å. Mn(1) is bonded in a single-bond geometry to one Ag(1) atom. The Mn(1)-Ag(1) bond length is 1.15 Å. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 2-coordinate geometry to one Ba(1) and one Mn(1) atom. In the second Ag site, Ag(2) is bonded in a distorted single-bond geometry to one Ba(1) atom.