data_MgNb2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.83
_cell_length_b   2.83
_cell_length_c   9.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgNb2Ag
_chemical_formula_sum   'Mg1 Nb2 Ag1'
_cell_volume   73.29
_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  Mg1  1  0.0  0.0  0.77  1.0
  Nb  Nb2  1  0.41  0.41  0.04  1.0
  Nb  Nb3  1  0.0  0.0  0.34  1.0
  Ag  Ag0  1  0.41  0.41  0.61  1.0

data_MgNb2Ag
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.0
_cell_length_b   4.0
_cell_length_c   9.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgNb2Ag
_chemical_formula_sum   'Mg2 Nb4 Ag2'
_cell_volume   146.58
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.77  1.0
  Nb  Nb1  2  0.0  0.0  0.34  1.0
  Nb  Nb2  2  0.41  0.0  0.04  1.0
  Ag  Ag3  2  0.41  0.0  0.61  1.0

Mg Nb Nb Ag
Mg Nb Nb Ag 0 3 - - o 0 3 - o o 0 3 o - o 0 3 o o o 0 0 + o o 0 0 o + o 0 1 o o + 0 1 o - + 0 1 - o + 0 1 - - + 1 2 o o o 1 2 o + o 1 2 + o o 1 1 + o o 1 1 o + o 2 3 - - o 2 3 - o o 2 3 o - o 2 3 o o o 2 2 + o o 2 2 o + o 3 3 + o o 3 3 o + o 
MgNb2Ag crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a 3-coordinate geometry to four equivalent Nb(1) and three equivalent Ag(1) atoms. There are a spread of Mg(1)-Nb(1) bond distances ranging from 2.97-3.40 Å. There is one shorter (2.19 Å) and two longer (2.49 Å) Mg(1)-Ag(1) bond lengths. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 12-coordinate geometry to four equivalent Mg(1), four equivalent Nb(1), and four equivalent Nb(2) atoms. All Nb(1)-Nb(1) bond lengths are 2.83 Å. There are a spread of Nb(1)-Nb(2) bond distances ranging from 3.20-3.60 Å. In the second Nb site, Nb(2) is bonded in a 12-coordinate geometry to four equivalent Nb(1), four equivalent Nb(2), and four equivalent Ag(1) atoms. All Nb(2)-Nb(2) bond lengths are 2.83 Å. There are a spread of Nb(2)-Ag(1) bond distances ranging from 3.01-3.44 Å. Ag(1) is bonded in a 3-coordinate geometry to three equivalent Mg(1) and four equivalent Nb(2) atoms.