data_MgNbMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.36
_cell_length_b   4.36
_cell_length_c   3.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgNbMo2
_chemical_formula_sum   'Mg1 Nb1 Mo2'
_cell_volume   67.08
_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
  Nb  Nb3  1  0.18  0.18  0.0  1.0
  Mo  Mo1  1  0.0  0.18  0.76  1.0
  Mo  Mo2  1  0.18  0.0  0.76  1.0

data_MgNbMo2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.17
_cell_length_b   6.17
_cell_length_c   3.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgNbMo2
_chemical_formula_sum   'Mg2 Nb2 Mo4'
_cell_volume   134.16
_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
  Nb  Nb1  2  0.18  0.0  0.0  1.0
  Mo  Mo2  4  0.09  0.09  0.76  1.0

Mg Nb Mo Mo
MgNbMo2 is alpha Po structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two MgNbMo2 clusters. Mg(1) is bonded in a 3-coordinate geometry to one Nb(1) and two equivalent Mo(1) atoms. The Mg(1)-Nb(1) bond length is 1.12 Å. Both Mg(1)-Mo(1) bond lengths are 1.15 Å. Nb(1) is bonded in a 3-coordinate geometry to one Mg(1) and two equivalent Mo(1) atoms. Both Nb(1)-Mo(1) bond lengths are 1.15 Å. Mo(1) is bonded in a 3-coordinate geometry to one Mg(1), one Nb(1), and one Mo(1) atom. The Mo(1)-Mo(1) bond length is 1.12 Å.