data_YV4Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YV4Ge
_chemical_formula_sum   'Y1 V4 Ge1'
_cell_volume   98.7
_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
  Y  Y5  1  0.83  0.83  0.83  1.0
  V  V1  1  0.77  0.57  0.77  1.0
  V  V2  1  0.57  0.77  0.77  1.0
  V  V3  1  0.57  0.57  0.57  1.0
  V  V4  1  0.77  0.77  0.57  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0

data_YV4Ge
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   12.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   YV4Ge
_chemical_formula_sum   'Y3 V12 Ge3'
_cell_volume   296.09
_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
  Y  Y0  3  0.0  0.0  0.17  1.0
  V  V1  9  0.14  0.07  0.3  1.0
  V  V2  3  0.0  0.0  0.43  1.0
  Ge  Ge3  3  0.0  0.0  0.0  1.0

Y V V V V Ge
Y V V V V Ge 0 4 o o o 0 2 o o o 0 1 o o o 0 5 + + + 1 2 o o o 1 4 o o o 1 3 o o o 1 5 + o + 2 4 o o o 2 3 o o o 2 5 o + + 3 4 o o o 4 5 + + o 
YV4Ge crystallizes in the trigonal R3m space group. Y(1) is bonded in a 7-coordinate geometry to three equivalent V(1), three equivalent V(2), and one Ge(1) atom. All Y(1)-V(1) bond lengths are 1.79 Å. All Y(1)-V(2) bond lengths are 3.11 Å. The Y(1)-Ge(1) bond length is 2.11 Å. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 4-coordinate geometry to one Y(1), one V(2), two equivalent V(1), and one Ge(1) atom. The V(1)-V(2) bond length is 1.83 Å. Both V(1)-V(1) bond lengths are 1.05 Å. The V(1)-Ge(1) bond length is 2.43 Å. In the second V site, V(2) is bonded in a 6-coordinate geometry to three equivalent Y(1) and three equivalent V(1) atoms. Ge(1) is bonded in a distorted tetrahedral geometry to one Y(1) and three equivalent V(1) atoms.