data_Zr2VSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.61
_cell_length_b   4.61
_cell_length_c   3.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2VSe
_chemical_formula_sum   'Zr2 V1 Se1'
_cell_volume   74.0
_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
  Zr  Zr2  1  0.0  0.3  0.74  1.0
  Zr  Zr3  1  0.3  0.0  0.74  1.0
  V  V1  1  0.0  0.0  0.0  1.0
  Se  Se0  1  0.3  0.3  0.0  1.0

data_Zr2VSe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.52
_cell_length_b   6.52
_cell_length_c   3.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Zr2VSe
_chemical_formula_sum   'Zr4 V2 Se2'
_cell_volume   147.99
_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
  Zr  Zr0  4  0.15  0.15  0.74  1.0
  V  V1  2  0.0  0.0  0.0  1.0
  Se  Se2  2  0.3  0.0  0.0  1.0

Zr Zr V Se
Zr2VSe crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Zr2VSe clusters. Zr(1) is bonded in a 2-coordinate geometry to one V(1) and one Se(1) atom. The Zr(1)-V(1) bond length is 1.66 Å. The Zr(1)-Se(1) bond length is 1.66 Å. V(1) is bonded in a 3-coordinate geometry to two equivalent Zr(1) and one Se(1) atom. The V(1)-Se(1) bond length is 1.98 Å. Se(1) is bonded in a 2-coordinate geometry to two equivalent Zr(1) and one V(1) atom.