data_BaNd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.92
_cell_length_b   6.92
_cell_length_c   6.92
_cell_angle_alpha   32.93
_cell_angle_beta   32.93
_cell_angle_gamma   32.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNd
_chemical_formula_sum   'Ba1 Nd1'
_cell_volume   87.31
_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
  Ba  Ba0  1  0.0  0.0  0.0  1.0
  Nd  Nd1  1  0.0  0.0  0.81  1.0

data_BaNd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.8
_cell_length_b   3.93
_cell_length_c   6.92
_cell_angle_alpha   90.0
_cell_angle_beta   109.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaNd
_chemical_formula_sum   'Ba2 Nd2'
_cell_volume   174.61
_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
  Ba  Ba0  2  0.0  0.0  0.0  1.0
  Nd  Nd1  2  0.0  0.0  0.19  1.0

Ba Nd
NdBa is alpha carbon monoxide-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two NdBa clusters. Ba(1) is bonded in a single-bond geometry to one Nd(1) atom. The Ba(1)-Nd(1) bond length is 1.29 Å. Nd(1) is bonded in a single-bond geometry to one Ba(1) atom.