data_YMg2V
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.71
_cell_length_b   10.71
_cell_length_c   10.71
_cell_angle_alpha   16.76
_cell_angle_beta   16.76
_cell_angle_gamma   16.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMg2V
_chemical_formula_sum   'Y1 Mg2 V1'
_cell_volume   89.17
_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
  Y  Y3  1  0.0  0.0  0.84  1.0
  Mg  Mg0  1  0.0  0.0  0.49  1.0
  Mg  Mg1  1  0.0  0.0  0.19  1.0
  V  V2  1  0.0  0.0  0.0  1.0

data_YMg2V
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.41
_cell_length_b   3.12
_cell_length_c   10.71
_cell_angle_alpha   90.0
_cell_angle_beta   99.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YMg2V
_chemical_formula_sum   'Y2 Mg4 V2'
_cell_volume   178.35
_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
  Y  Y0  2  0.0  0.0  0.16  1.0
  Mg  Mg1  2  0.0  0.0  0.51  1.0
  Mg  Mg2  2  0.0  0.0  0.81  1.0
  V  V3  2  0.0  0.0  0.0  1.0

Y Mg Mg V
Mg2YV crystallizes in the monoclinic Cm space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one Mg(2), six equivalent Mg(1), and one Y(1) atom to form a mixture of edge and corner-sharing MgYMg7 hexagonal bipyramids. The Mg(1)-Mg(2) bond length is 3.12 Å. All Mg(1)-Mg(1) bond lengths are 3.12 Å. The Mg(1)-Y(1) bond length is 3.80 Å. In the second Mg site, Mg(2) is bonded in a single-bond geometry to one Mg(1) and one V(1) atom. The Mg(2)-V(1) bond length is 2.08 Å. Y(1) is bonded in a single-bond geometry to one Mg(1) and one V(1) atom. The Y(1)-V(1) bond length is 1.71 Å. V(1) is bonded in a linear geometry to one Mg(2) and one Y(1) atom.