data_PrNd2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.45
_cell_length_b   5.45
_cell_length_c   5.45
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PrNd2Ge
_chemical_formula_sum   'Pr1 Nd2 Ge1'
_cell_volume   114.22
_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
  Pr  Pr3  1  0.85  0.85  0.85  1.0
  Nd  Nd1  1  0.78  0.78  0.78  1.0
  Nd  Nd2  1  0.93  0.93  0.93  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0

data_PrNd2Ge
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.45
_cell_length_b   5.45
_cell_length_c   13.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   PrNd2Ge
_chemical_formula_sum   'Pr3 Nd6 Ge3'
_cell_volume   342.66
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  Pr  Pr0  3  0.0  0.0  0.15  1.0
  Nd  Nd1  3  0.0  0.0  0.07  1.0
  Nd  Nd2  3  0.0  0.0  0.22  1.0
  Ge  Ge3  3  0.0  0.0  -0.0  1.0

Pr Nd Nd Ge
Pr Nd Nd Ge 0 1 o o o 0 2 o o o 2 3 + + + 
Nd2PrGe crystallizes in the trigonal R3m space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded to one Pr(1) and three equivalent Ge(1) atoms to form distorted corner-sharing NdPrGe3 tetrahedra. The Nd(1)-Pr(1) bond length is 0.99 Å. All Nd(1)-Ge(1) bond lengths are 3.47 Å. In the second Nd site, Nd(2) is bonded in a distorted single-bond geometry to one Pr(1) and one Ge(1) atom. The Nd(2)-Pr(1) bond length is 0.99 Å. The Nd(2)-Ge(1) bond length is 0.99 Å. Pr(1) is bonded in a linear geometry to one Nd(1) and one Nd(2) atom. Ge(1) is bonded in a single-bond geometry to one Nd(2) and three equivalent Nd(1) atoms.