data_MgAg5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.64
_cell_length_b   5.64
_cell_length_c   6.93
_cell_angle_alpha   105.04
_cell_angle_beta   105.04
_cell_angle_gamma   30.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgAg5
_chemical_formula_sum   'Mg1 Ag5'
_cell_volume   108.25
_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
  Mg  Mg5  1  0.1  0.0  0.29  1.0
  Ag  Ag0  1  0.01  0.0  0.01  1.0
  Ag  Ag1  1  0.7  0.0  0.83  1.0
  Ag  Ag2  1  0.64  0.0  0.22  1.0
  Ag  Ag3  1  0.47  0.0  0.09  1.0
  Ag  Ag4  1  0.38  0.0  0.46  1.0

data_MgAg5
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   5.64
_cell_length_c   6.93
_cell_angle_alpha   105.04
_cell_angle_beta   90.0
_cell_angle_gamma   105.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgAg5
_chemical_formula_sum   'Mg1 Ag5'
_cell_volume   108.25
_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
  Mg  Mg0  1  0.0  0.9  0.71  1.0
  Ag  Ag1  1  0.0  0.3  0.17  1.0
  Ag  Ag2  1  0.0  0.36  0.78  1.0
  Ag  Ag3  1  0.0  0.53  0.91  1.0
  Ag  Ag4  1  0.0  0.62  0.54  1.0
  Ag  Ag5  1  0.0  0.99  0.99  1.0

Mg Ag Ag Ag Ag Ag
Mg Ag Ag Ag Ag Ag 0 1 o o o 0 5 o o o 1 2 - o - 3 4 o o o 
MgAg5 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one MgAg5 cluster. Mg(1) is bonded in a 2-coordinate geometry to one Ag(1), one Ag(3), and one Ag(5) atom. The Mg(1)-Ag(1) bond length is 1.90 Å. The Mg(1)-Ag(3) bond length is 2.47 Å. The Mg(1)-Ag(5) bond length is 1.74 Å. There are five inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a distorted single-bond geometry to one Mg(1) and one Ag(2) atom. The Ag(1)-Ag(2) bond length is 1.81 Å. In the second Ag site, Ag(2) is bonded in a 1-coordinate geometry to one Ag(1) atom. In the third Ag site, Ag(3) is bonded in a 2-coordinate geometry to one Mg(1) and one Ag(4) atom. The Ag(3)-Ag(4) bond length is 1.16 Å. In the fourth Ag site, Ag(4) is bonded in a single-bond geometry to one Ag(3) atom. In the fifth Ag site, Ag(5) is bonded in a single-bond geometry to one Mg(1) atom.