data_Sr2TaV
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.35
_cell_length_b   11.35
_cell_length_c   11.35
_cell_angle_alpha   16.21
_cell_angle_beta   16.21
_cell_angle_gamma   16.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2TaV
_chemical_formula_sum   'Sr2 Ta1 V1'
_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
  Sr  Sr0  1  0.0  0.0  0.16  1.0
  Sr  Sr1  1  0.0  0.0  0.45  1.0
  Ta  Ta2  1  0.0  0.0  0.8  1.0
  V  V3  1  0.0  0.0  0.0  1.0

data_Sr2TaV
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.54
_cell_length_b   3.2
_cell_length_c   11.35
_cell_angle_alpha   90.0
_cell_angle_beta   99.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sr2TaV
_chemical_formula_sum   'Sr4 Ta2 V2'
_cell_volume   198.81
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  Sr0  2  -0.0  0.0  0.55  1.0
  Sr  Sr1  2  -0.0  0.0  0.84  1.0
  Ta  Ta2  2  0.0  0.0  0.2  1.0
  V  V3  2  0.0  0.0  0.0  1.0

Sr Sr Ta V
Sr Sr Ta V 0 3 o o o 0 1 o o o 1 1 o + - 1 1 + - o 1 1 + o - 2 3 o o + 
Sr2TaV crystallizes in the monoclinic Cm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a single-bond geometry to one Sr(2) and one V(1) atom. The Sr(1)-Sr(2) bond length is 3.30 Å. The Sr(1)-V(1) bond length is 1.76 Å. In the second Sr site, Sr(2) is bonded to one Sr(1), six equivalent Sr(2), and one Ta(1) atom to form a mixture of corner and edge-sharing SrSr7Ta hexagonal bipyramids. All Sr(2)-Sr(2) bond lengths are 3.20 Å. The Sr(2)-Ta(1) bond length is 4.02 Å. Ta(1) is bonded in a distorted single-bond geometry to one Sr(2) and one V(1) atom. The Ta(1)-V(1) bond length is 2.26 Å. V(1) is bonded in a distorted single-bond geometry to one Sr(1) and one Ta(1) atom.