data_SrHfVIn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   5.18
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrHfVIn
_chemical_formula_sum   'Sr1 Hf1 V1 In1'
_cell_volume   98.48
_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
  Sr  Sr2  1  0.83  0.83  0.83  1.0
  Hf  Hf0  1  0.5  0.5  0.5  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  In  In1  1  0.67  0.67  0.67  1.0

data_SrHfVIn
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   12.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SrHfVIn
_chemical_formula_sum   'Sr3 Hf3 V3 In3'
_cell_volume   295.43
_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
  Sr  Sr0  3  0.0  0.0  0.17  1.0
  Hf  Hf1  3  0.0  0.0  0.5  1.0
  V  V2  3  0.0  0.0  0.0  1.0
  In  In3  3  0.0  0.0  0.33  1.0

Sr Hf V In
Sr Hf V In 0 3 o o o 0 2 + + + 1 3 o o o 
SrHfVIn is Copper structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of three SrHfVIn clusters. Sr(1) is bonded in a distorted linear geometry to one V(1) and one In(1) atom. The Sr(1)-V(1) bond length is 2.13 Å. The Sr(1)-In(1) bond length is 2.13 Å. Hf(1) is bonded in a distorted single-bond geometry to one In(1) atom. The Hf(1)-In(1) bond length is 2.13 Å. V(1) is bonded in a distorted single-bond geometry to one Sr(1) atom. In(1) is bonded in a distorted linear geometry to one Sr(1) and one Hf(1) atom.