data_BaMg2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.69
_cell_length_b   4.83
_cell_length_c   5.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMg2Ag
_chemical_formula_sum   'Ba1 Mg2 Ag1'
_cell_volume   123.61
_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  0.0  0.41  0.73  1.0
  Mg  Mg2  1  0.0  0.0  0.0  1.0
  Mg  Mg3  1  0.34  0.41  0.0  1.0
  Ag  Ag0  1  0.34  0.0  0.73  1.0

data_BaMg2Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.69
_cell_length_b   4.83
_cell_length_c   5.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMg2Ag
_chemical_formula_sum   'Ba1 Mg2 Ag1'
_cell_volume   123.61
_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  0.41  0.73  1.0
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  Mg  Mg2  1  0.34  0.41  0.0  1.0
  Ag  Ag3  1  0.34  0.0  0.73  1.0

Ba Mg Mg Ag
Ba Mg Mg Ag 0 1 o o + 0 3 o o o 0 2 o o + 1 3 o o - 1 2 o o o 2 3 o o - 
BaMg2Ag is alpha Po structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one BaMg2Ag cluster. Ba(1) is bonded in a 3-coordinate geometry to one Mg(1), one Mg(2), and one Ag(1) atom. The Ba(1)-Mg(1) bond length is 2.48 Å. The Ba(1)-Mg(2) bond length is 2.18 Å. The Ba(1)-Ag(1) bond length is 2.57 Å. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 2-coordinate geometry to one Ba(1) and one Ag(1) atom. The Mg(1)-Ag(1) bond length is 2.18 Å. In the second Mg site, Mg(2) is bonded in a 2-coordinate geometry to one Ba(1) and one Ag(1) atom. The Mg(2)-Ag(1) bond length is 2.48 Å. Ag(1) is bonded in a 3-coordinate geometry to one Ba(1), one Mg(1), and one Mg(2) atom.