data_MnAlV2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.88
_cell_length_b   4.88
_cell_length_c   4.88
_cell_angle_alpha   144.65
_cell_angle_beta   128.83
_cell_angle_gamma   63.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnAlV2
_chemical_formula_sum   'Mn1 Al1 V2'
_cell_volume   51.76
_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  0.0  0.11  0.18  1.0
  Al  Al0  1  0.0  0.0  0.24  1.0
  V  V2  1  0.0  0.0  0.18  1.0
  V  V3  1  0.48  0.0  0.98  1.0

data_MnAlV2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   4.21
_cell_length_c   4.88
_cell_angle_alpha   115.58
_cell_angle_beta   107.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnAlV2
_chemical_formula_sum   'Mn1 Al1 V2'
_cell_volume   51.76
_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  Mn0  1  0.82  0.93  0.93  1.0
  Al  Al1  1  0.76  0.76  0.76  1.0
  V  V2  1  0.5  0.02  0.5  1.0
  V  V3  1  0.82  0.82  0.82  1.0

Mn Al V V
Mn Al V V 0 2 o o o 0 3 - o - 1 2 o o o 1 3 - o - 2 3 - o - 
V2MnAl crystallizes in the triclinic P1 space group. There are two inequivalent V sites. In the first V site, V(1) is bonded in a bent 150 degrees geometry to one Mn(1) and one Al(1) atom. The V(1)-Mn(1) bond length is 0.52 Å. The V(1)-Al(1) bond length is 0.29 Å. In the second V site, V(2) is bonded in a 7-coordinate geometry to two equivalent V(2), three equivalent Mn(1), and two equivalent Al(1) atoms. Both V(2)-V(2) bond lengths are 2.96 Å. There are a spread of V(2)-Mn(1) bond distances ranging from 2.21-3.09 Å. There is one shorter (2.00 Å) and one longer (2.83 Å) V(2)-Al(1) bond length. Mn(1) is bonded in a single-bond geometry to one V(1) and three equivalent V(2) atoms. Al(1) is bonded in a single-bond geometry to one V(1) and two equivalent V(2) atoms.