data_MgVNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.72
_cell_length_b   2.72
_cell_length_c   7.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgVNi2
_chemical_formula_sum   'Mg1 V1 Ni2'
_cell_volume   51.75
_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  Mg0  1  0.0  0.0  0.0  1.0
  V  V3  1  0.0  0.0  0.51  1.0
  Ni  Ni1  1  0.36  0.36  0.87  1.0
  Ni  Ni2  1  0.36  0.36  0.15  1.0

data_MgVNi2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.84
_cell_length_b   3.84
_cell_length_c   7.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgVNi2
_chemical_formula_sum   'Mg2 V2 Ni4'
_cell_volume   103.5
_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  0.0  0.0  0.0  1.0
  V  V1  2  0.0  0.0  0.51  1.0
  Ni  Ni2  2  0.36  0.0  0.15  1.0
  Ni  Ni3  2  0.36  0.0  0.87  1.0

Mg V Ni Ni
MgVNi2 crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a 2-coordinate geometry to one Ni(1) and one Ni(2) atom. The Mg(1)-Ni(1) bond length is 1.64 Å. The Mg(1)-Ni(2) bond length is 1.71 Å. V(1) is bonded in a 10-coordinate geometry to four equivalent V(1), three equivalent Ni(1), and three equivalent Ni(2) atoms. All V(1)-V(1) bond lengths are 2.72 Å. There is one shorter (2.90 Å) and two longer (3.24 Å) V(1)-Ni(1) bond lengths. There is one shorter (2.90 Å) and two longer (3.24 Å) V(1)-Ni(2) bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 1-coordinate geometry to one Mg(1) and three equivalent V(1) atoms. In the second Ni site, Ni(2) is bonded in a 1-coordinate geometry to one Mg(1) and three equivalent V(1) atoms.