data_Sr2VCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.5
_cell_length_b   3.5
_cell_length_c   9.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2VCr
_chemical_formula_sum   'Sr2 V1 Cr1'
_cell_volume   115.53
_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  Sr1  1  0.75  0.75  0.17  1.0
  Sr  Sr2  1  0.75  0.75  0.27  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Cr  Cr0  1  0.0  0.0  0.72  1.0

data_Sr2VCr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.95
_cell_length_b   4.95
_cell_length_c   9.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sr2VCr
_chemical_formula_sum   'Sr4 V2 Cr2'
_cell_volume   231.06
_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  0.25  0.5  0.17  1.0
  Sr  Sr1  2  0.25  0.5  0.27  1.0
  V  V2  2  0.0  0.0  0.0  1.0
  Cr  Cr3  2  0.0  0.0  0.72  1.0

Sr Sr V Cr
Sr Sr V Cr 0 1 o o o 0 2 + + o 2 3 o o - 
Sr2VCr crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Sr2VCr clusters. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a distorted bent 150 degrees geometry to one Sr(2) and one V(1) atom. The Sr(1)-Sr(2) bond length is 0.95 Å. The Sr(1)-V(1) bond length is 2.00 Å. In the second Sr site, Sr(2) is bonded in a single-bond geometry to one Sr(1) atom. V(1) is bonded in a single-bond geometry to one Sr(1) and one Cr(1) atom. The V(1)-Cr(1) bond length is 2.67 Å. Cr(1) is bonded in a single-bond geometry to one V(1) atom.