data_VAg4Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   5.25
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VAg4Os
_chemical_formula_sum   'V1 Ag4 Os1'
_cell_volume   102.21
_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
  V  V5  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.78  0.64  0.78  1.0
  Ag  Ag1  1  0.64  0.78  0.78  1.0
  Ag  Ag2  1  0.64  0.64  0.64  1.0
  Ag  Ag3  1  0.78  0.78  0.64  1.0
  Os  Os4  1  0.86  0.86  0.86  1.0

data_VAg4Os
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   12.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   VAg4Os
_chemical_formula_sum   'V3 Ag12 Os3'
_cell_volume   306.62
_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
  V  V0  3  0.0  0.0  0.0  1.0
  Ag  Ag1  9  0.1  0.05  0.26  1.0
  Ag  Ag2  3  0.0  0.0  0.36  1.0
  Os  Os3  3  0.0  0.0  0.14  1.0

V Ag Ag Ag Ag Os
VOsAg4 crystallizes in the trigonal R3m space group. V(1) is bonded in a distorted single-bond geometry to one Os(1) and three equivalent Ag(1) atoms. The V(1)-Os(1) bond length is 1.86 Å. All V(1)-Ag(1) bond lengths are 2.74 Å. Os(1) is bonded in a distorted single-bond geometry to one V(1) and three equivalent Ag(1) atoms. All Os(1)-Ag(1) bond lengths are 1.61 Å. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 5-coordinate geometry to one V(1), one Os(1), one Ag(2), and two equivalent Ag(1) atoms. The Ag(1)-Ag(2) bond length is 1.32 Å. Both Ag(1)-Ag(1) bond lengths are 0.76 Å. In the second Ag site, Ag(2) is bonded in a 3-coordinate geometry to three equivalent Ag(1) atoms.