data_Mg2VMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   5.42
_cell_angle_alpha   93.18
_cell_angle_beta   93.18
_cell_angle_gamma   33.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2VMo
_chemical_formula_sum   'Mg2 V1 Mo1'
_cell_volume   68.16
_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  0.7  0.0  0.41  1.0
  Mg  Mg1  1  0.06  0.0  0.05  1.0
  V  V3  1  0.81  0.0  0.51  1.0
  Mo  Mo2  1  0.48  0.0  0.55  1.0

data_Mg2VMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.73
_cell_length_b   4.81
_cell_length_c   5.42
_cell_angle_alpha   93.18
_cell_angle_beta   90.0
_cell_angle_gamma   106.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2VMo
_chemical_formula_sum   'Mg2 V1 Mo1'
_cell_volume   68.16
_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  0.3  0.59  1.0
  Mg  Mg1  1  0.0  0.94  0.95  1.0
  V  V2  1  0.0  0.19  0.49  1.0
  Mo  Mo3  1  0.0  0.52  0.45  1.0

Mg Mg V Mo
Mg2VMo crystallizes in the triclinic P1 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in an L-shaped geometry to one Mg(2), one V(1), and one Mo(1) atom. The Mg(1)-Mg(2) bond length is 2.67 Å. The Mg(1)-V(1) bond length is 0.77 Å. The Mg(1)-Mo(1) bond length is 1.35 Å. In the second Mg site, Mg(2) is bonded in a 7-coordinate geometry to one Mg(1), two equivalent Mg(2), two equivalent V(1), and two equivalent Mo(1) atoms. Both Mg(2)-Mg(2) bond lengths are 2.73 Å. There is one shorter (2.86 Å) and one longer (3.10 Å) Mg(2)-V(1) bond length. There is one shorter (3.30 Å) and one longer (3.45 Å) Mg(2)-Mo(1) bond length. V(1) is bonded in a single-bond geometry to one Mg(1) and two equivalent Mg(2) atoms. Mo(1) is bonded in a distorted single-bond geometry to one Mg(1) and two equivalent Mg(2) atoms.