data_V2OsSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.41
_cell_length_b   4.41
_cell_length_c   2.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   100.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2OsSe
_chemical_formula_sum   'V2 Os1 Se1'
_cell_volume   57.31
_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
  V  V2  1  0.42  0.69  0.5  1.0
  V  V3  1  0.42  0.31  0.5  1.0
  Os  Os0  1  0.83  0.0  0.0  1.0
  Se  Se1  1  0.0  0.0  0.0  1.0

data_V2OsSe
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.41
_cell_length_b   2.99
_cell_length_c   4.41
_cell_angle_alpha   90.0
_cell_angle_beta   100.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   V2OsSe
_chemical_formula_sum   'V2 Os1 Se1'
_cell_volume   57.31
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  V  V0  1  0.42  0.5  0.31  1.0
  V  V1  1  0.42  0.5  0.69  1.0
  Os  Os2  1  0.83  0.0  0.0  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

V V Os Se
V2OsSe crystallizes in the triclinic P1 space group. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 5-coordinate geometry to one V(2), two equivalent Os(1), and two equivalent Se(1) atoms. The V(1)-V(2) bond length is 1.68 Å. There is one shorter (2.56 Å) and one longer (2.58 Å) V(1)-Os(1) bond length. There is one shorter (2.88 Å) and one longer (2.90 Å) V(1)-Se(1) bond length. In the second V site, V(2) is bonded in a 5-coordinate geometry to one V(1), two equivalent Os(1), and two equivalent Se(1) atoms. There is one shorter (2.88 Å) and one longer (2.90 Å) V(2)-Os(1) bond length. There is one shorter (2.56 Å) and one longer (2.58 Å) V(2)-Se(1) bond length. Os(1) is bonded in a single-bond geometry to two equivalent V(1), two equivalent V(2), and one Se(1) atom. The Os(1)-Se(1) bond length is 0.74 Å. Se(1) is bonded in a distorted single-bond geometry to two equivalent V(1), two equivalent V(2), and one Os(1) atom.