data_MgCuMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.23
_cell_length_b   6.23
_cell_length_c   6.23
_cell_angle_alpha   154.08
_cell_angle_beta   154.08
_cell_angle_gamma   36.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCuMo
_chemical_formula_sum   'Mg1 Cu1 Mo1'
_cell_volume   46.19
_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  Mg1  1  0.0  0.0  0.04  1.0
  Cu  Cu0  1  0.0  0.0  0.03  1.0
  Mo  Mo2  1  0.0  0.0  0.75  1.0

data_MgCuMo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.95
_cell_length_b   3.95
_cell_length_c   6.23
_cell_angle_alpha   90.0
_cell_angle_beta   108.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgCuMo
_chemical_formula_sum   'Mg2 Cu2 Mo2'
_cell_volume   92.38
_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  0.96  1.0
  Cu  Cu1  2  0.0  0.0  0.97  1.0
  Mo  Mo2  2  0.0  0.0  0.25  1.0

Mg Cu Mo
Mg Cu Mo 0 1 o o o 0 2 o o - 1 2 o o - 
MgMoCu crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two MgMoCu clusters. Mg(1) is bonded in a single-bond geometry to one Cu(1) atom. The Mg(1)-Cu(1) bond length is 0.08 Å. Mo(1) is bonded in a single-bond geometry to one Cu(1) atom. The Mo(1)-Cu(1) bond length is 1.70 Å. Cu(1) is bonded in a single-bond geometry to one Mg(1) and one Mo(1) atom.