data_Sr2TiV
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.48
_cell_length_b   5.19
_cell_length_c   6.84
_cell_angle_alpha   90.0
_cell_angle_beta   92.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2TiV
_chemical_formula_sum   'Sr2 Ti1 V1'
_cell_volume   123.59
_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  0.45  0.6  0.1  1.0
  Sr  Sr1  1  0.7  0.6  0.73  1.0
  Ti  Ti2  1  0.0  0.0  0.0  1.0
  V  V3  1  0.84  0.0  0.41  1.0

data_Sr2TiV
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.48
_cell_length_b   5.19
_cell_length_c   6.84
_cell_angle_alpha   90.0
_cell_angle_beta   92.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2TiV
_chemical_formula_sum   'Sr2 Ti1 V1'
_cell_volume   123.59
_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  0.45  0.6  0.1  1.0
  Sr  Sr1  1  0.7  0.6  0.73  1.0
  Ti  Ti2  1  0.0  0.0  0.0  1.0
  V  V3  1  0.84  0.0  0.41  1.0

Sr Sr Ti V
Sr Sr Ti V 0 2 o + o 0 2 + + o 0 1 o o - 0 3 o + o 0 3 - + o 1 1 + o o 1 3 o + o 1 2 + + + 2 3 - o o 3 3 + o o 
Sr2TiV crystallizes in the triclinic P1 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 1-coordinate geometry to one Ti(1) and one V(1) atom. The Sr(1)-Ti(1) bond length is 2.69 Å. The Sr(1)-V(1) bond length is 3.23 Å. In the second Sr site, Sr(2) is bonded in a 2-coordinate geometry to one Ti(1) and two equivalent V(1) atoms. The Sr(2)-Ti(1) bond length is 2.96 Å. There is one shorter (3.04 Å) and one longer (3.81 Å) Sr(2)-V(1) bond length. Ti(1) is bonded in a 1-coordinate geometry to one Sr(1), one Sr(2), and one V(1) atom. The Ti(1)-V(1) bond length is 2.92 Å. V(1) is bonded in a 4-coordinate geometry to one Sr(1), two equivalent Sr(2), and one Ti(1) atom.