data_Mn2VCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.0
_cell_length_b   3.0
_cell_length_c   5.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2VCu
_chemical_formula_sum   'Mn2 V1 Cu1'
_cell_volume   50.77
_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
  Mn  Mn1  1  0.5  0.5  0.26  1.0
  Mn  Mn2  1  0.5  0.5  0.37  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Cu  Cu0  1  0.0  0.0  0.81  1.0

data_Mn2VCu
_symmetry_space_group_name_H-M   P4mm
_cell_length_a   3.0
_cell_length_b   3.0
_cell_length_c   5.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   99
_chemical_formula_structural   Mn2VCu
_chemical_formula_sum   'Mn2 V1 Cu1'
_cell_volume   50.77
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x, z'
  3  '-x, -y, z'
  4  'y, -x, z'
  5  '-x, y, z'
  6  'y, x, z'
  7  'x, -y, z'
  8  '-y, -x, 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
  Mn  Mn0  1  0.5  0.5  0.26  1.0
  Mn  Mn1  1  0.5  0.5  0.37  1.0
  V  V2  1  0.0  0.0  0.0  1.0
  Cu  Cu3  1  0.0  0.0  0.81  1.0

Mn Mn V Cu
Mn Mn V Cu 0 1 o o o 2 3 o o - 
(Mn)2VCu is High Pressure Cadmuum Telluride structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two manganese molecules and two VCu clusters. In each VCu cluster, V(1) is bonded in a single-bond geometry to one Cu(1) atom. The V(1)-Cu(1) bond length is 1.05 Å. Cu(1) is bonded in a single-bond geometry to one V(1) atom.