data_MgVAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   4.54
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgVAg2
_chemical_formula_sum   'Mg1 V1 Ag2'
_cell_volume   66.38
_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  Mg2  1  0.0  0.0  0.0  1.0
  V  V3  1  0.21  0.21  0.21  1.0
  Ag  Ag0  1  0.61  0.61  0.61  1.0
  Ag  Ag1  1  0.82  0.82  0.82  1.0

data_MgVAg2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   11.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   MgVAg2
_chemical_formula_sum   'Mg3 V3 Ag6'
_cell_volume   199.13
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.0  1.0
  V  V1  3  0.0  0.0  0.79  1.0
  Ag  Ag2  3  0.0  0.0  0.18  1.0
  Ag  Ag3  3  0.0  0.0  0.39  1.0

Mg V Ag Ag
Mg V Ag Ag 0 3 - - - 0 1 o o o 0 1 o o - 0 1 - o o 0 1 o - o 0 2 o - - 0 2 - o - 0 2 - - o 1 3 - - o 1 3 - o - 1 3 o - - 1 2 - o o 1 2 o - o 1 2 o o - 2 3 o - o 2 3 - o o 2 3 o o - 2 3 o o o 
MgVAg2 crystallizes in the trigonal R3m space group. Mg(1) is bonded in a 1-coordinate geometry to four equivalent V(1), one Ag(2), and three equivalent Ag(1) atoms. There is one shorter (2.38 Å) and three longer (2.94 Å) Mg(1)-V(1) bond lengths. The Mg(1)-Ag(2) bond length is 2.00 Å. All Mg(1)-Ag(1) bond lengths are 2.71 Å. V(1) is bonded in a 10-coordinate geometry to four equivalent Mg(1), three equivalent Ag(1), and three equivalent Ag(2) atoms. All V(1)-Ag(1) bond lengths are 2.71 Å. All V(1)-Ag(2) bond lengths are 2.71 Å. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 7-coordinate geometry to three equivalent Mg(1), three equivalent V(1), and one Ag(2) atom. The Ag(1)-Ag(2) bond length is 2.38 Å. In the second Ag site, Ag(2) is bonded in a distorted single-bond geometry to one Mg(1), three equivalent V(1), and one Ag(1) atom.