data_Na2MgAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.6
_cell_length_b   5.6
_cell_length_c   5.6
_cell_angle_alpha   131.13
_cell_angle_beta   131.13
_cell_angle_gamma   71.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2MgAg
_chemical_formula_sum   'Na2 Mg1 Ag1'
_cell_volume   97.27
_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
  Na  Na2  1  0.0  0.31  0.27  1.0
  Na  Na3  1  0.0  0.0  0.0  1.0
  Mg  Mg1  1  0.0  0.0  0.54  1.0
  Ag  Ag0  1  0.31  0.0  0.27  1.0

data_Na2MgAg
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   5.6
_cell_angle_alpha   114.44
_cell_angle_beta   114.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2MgAg
_chemical_formula_sum   'Na2 Mg1 Ag1'
_cell_volume   97.27
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Na  Na1  1  0.05  0.31  0.05  1.0
  Mg  Mg2  1  0.46  0.0  0.46  1.0
  Ag  Ag3  1  0.73  0.0  0.05  1.0

Na Na Mg Ag
Na Na Mg Ag 0 1 o o o 0 2 o o o 0 2 o o - 0 2 o + o 1 3 o o o 1 2 o o o 1 2 o o - 2 3 - o o 2 3 o o o 2 3 o o + 
Na2MgAg crystallizes in the triclinic P1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 1-coordinate geometry to one Na(2) and three equivalent Mg(1) atoms. The Na(1)-Na(2) bond length is 1.37 Å. There are a spread of Na(1)-Mg(1) bond distances ranging from 2.98-3.22 Å. In the second Na site, Na(2) is bonded in a distorted single-bond geometry to one Na(1), two equivalent Mg(1), and one Ag(1) atom. There is one shorter (2.58 Å) and one longer (3.01 Å) Na(2)-Mg(1) bond length. The Na(2)-Ag(1) bond length is 1.37 Å. Mg(1) is bonded in a 8-coordinate geometry to two equivalent Na(2), three equivalent Na(1), and three equivalent Ag(1) atoms. There are a spread of Mg(1)-Ag(1) bond distances ranging from 2.98-3.22 Å. Ag(1) is bonded in a single-bond geometry to one Na(2) and three equivalent Mg(1) atoms.