data_YV4Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   5.2
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YV4Ga
_chemical_formula_sum   'Y1 V4 Ga1'
_cell_volume   99.4
_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  0.51  0.51  0.51  1.0
  V  V1  1  0.58  0.58  0.78  1.0
  V  V2  1  0.58  0.78  0.58  1.0
  V  V3  1  0.78  0.58  0.58  1.0
  V  V4  1  0.78  0.78  0.78  1.0
  Ga  Ga0  1  0.0  0.0  0.0  1.0

data_YV4Ga
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   12.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   YV4Ga
_chemical_formula_sum   'Y3 V12 Ga3'
_cell_volume   298.2
_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  0.49  1.0
  V  V1  9  0.07  0.13  0.36  1.0
  V  V2  3  0.0  0.0  0.22  1.0
  Ga  Ga3  3  0.0  0.0  0.0  1.0

Y V V V V Ga
Y V V V V Ga 0 3 o o o 0 2 o o o 0 1 o o o 1 3 o o o 1 2 o o o 1 4 o o o 1 5 + o + 1 5 o + + 2 3 o o o 2 4 o o o 2 5 + + o 2 5 o + + 3 4 o o o 3 5 + + o 3 5 + o + 4 5 + + + 4 5 + + o 4 5 o + + 4 5 + o + 
YV4Ga crystallizes in the trigonal R3m space group. Y(1) is bonded in a 6-coordinate geometry to three equivalent V(1) and three equivalent V(2) atoms. All Y(1)-V(1) bond lengths are 1.74 Å. All Y(1)-V(2) bond lengths are 3.14 Å. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 2-coordinate geometry to one Y(1), one V(2), two equivalent V(1), and two equivalent Ga(1) atoms. The V(1)-V(2) bond length is 1.81 Å. Both V(1)-V(1) bond lengths are 1.05 Å. Both V(1)-Ga(1) bond lengths are 2.77 Å. In the second V site, V(2) is bonded in a 7-coordinate geometry to three equivalent Y(1), three equivalent V(1), and one Ga(1) atom. The V(2)-Ga(1) bond length is 2.84 Å. Ga(1) is bonded in a 7-coordinate geometry to one V(2) and six equivalent V(1) atoms.