data_VFe2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.59
_cell_length_b   2.59
_cell_length_c   7.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VFe2Os
_chemical_formula_sum   'V1 Fe2 Os1'
_cell_volume   49.6
_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  V3  1  0.0  0.0  0.61  1.0
  Fe  Fe0  1  0.3  0.3  0.1  1.0
  Fe  Fe1  1  0.0  0.0  0.77  1.0
  Os  Os2  1  0.3  0.3  0.57  1.0

data_VFe2Os
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.67
_cell_length_b   3.67
_cell_length_c   7.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   VFe2Os
_chemical_formula_sum   'V2 Fe4 Os2'
_cell_volume   99.19
_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
  V  V0  2  0.0  0.0  0.61  1.0
  Fe  Fe1  2  0.0  0.0  0.77  1.0
  Fe  Fe2  2  0.3  0.0  0.1  1.0
  Os  Os3  2  0.3  0.0  0.57  1.0

V Fe Fe Os
VOsFe2 crystallizes in the monoclinic Cm space group. V(1) is bonded in a distorted water-like geometry to one Os(1) and one Fe(2) atom. The V(1)-Os(1) bond length is 1.13 Å. The V(1)-Fe(2) bond length is 1.19 Å. Os(1) is bonded in a distorted single-bond geometry to one V(1) and one Fe(1) atom. The Os(1)-Fe(1) bond length is 3.50 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 6-coordinate geometry to one Os(1), one Fe(2), and four equivalent Fe(1) atoms. The Fe(1)-Fe(2) bond length is 2.61 Å. All Fe(1)-Fe(1) bond lengths are 2.59 Å. In the second Fe site, Fe(2) is bonded in a single-bond geometry to one V(1) and one Fe(1) atom.