data_MgVBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.47
_cell_length_b   6.47
_cell_length_c   6.47
_cell_angle_alpha   152.02
_cell_angle_beta   152.02
_cell_angle_gamma   39.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgVBr
_chemical_formula_sum   'Mg1 V1 Br1'
_cell_volume   59.39
_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
  Mg  Mg1  1  0.0  0.0  0.74  1.0
  V  V2  1  0.0  0.0  0.94  1.0
  Br  Br0  1  0.0  0.0  0.47  1.0

data_MgVBr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.42
_cell_length_b   4.42
_cell_length_c   6.47
_cell_angle_alpha   90.0
_cell_angle_beta   109.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgVBr
_chemical_formula_sum   'Mg2 V2 Br2'
_cell_volume   118.79
_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
  Mg  Mg0  2  0.24  0.5  0.74  1.0
  V  V1  2  0.44  0.5  0.94  1.0
  Br  Br2  2  0.47  0.0  0.47  1.0

Mg V Br
MgVBr is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two MgVBr clusters. Mg(1) is bonded in a linear geometry to one V(1) and one Br(1) atom. The Mg(1)-V(1) bond length is 1.28 Å. The Mg(1)-Br(1) bond length is 1.74 Å. V(1) is bonded in a single-bond geometry to one Mg(1) atom. Br(1) is bonded in a single-bond geometry to one Mg(1) atom.