data_Nd2ErRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   5.25
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd2ErRe
_chemical_formula_sum   'Nd2 Er1 Re1'
_cell_volume   102.15
_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
  Nd  Nd1  1  0.57  0.57  0.57  1.0
  Nd  Nd2  1  0.86  0.86  0.86  1.0
  Er  Er0  1  0.0  0.0  0.0  1.0
  Re  Re3  1  0.71  0.71  0.71  1.0

data_Nd2ErRe
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   12.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Nd2ErRe
_chemical_formula_sum   'Nd6 Er3 Re3'
_cell_volume   306.45
_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
  Nd  Nd0  3  0.0  0.0  0.14  1.0
  Nd  Nd1  3  0.0  0.0  0.43  1.0
  Er  Er2  3  0.0  0.0  0.0  1.0
  Re  Re3  3  0.0  0.0  0.29  1.0

Nd Nd Er Re
ErNd2Re crystallizes in the trigonal R3m space group. Er(1) is bonded in a 4-coordinate geometry to one Nd(2) and three equivalent Re(1) atoms. The Er(1)-Nd(2) bond length is 1.86 Å. All Er(1)-Re(1) bond lengths are 3.08 Å. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a single-bond geometry to one Re(1) atom. The Nd(1)-Re(1) bond length is 1.86 Å. In the second Nd site, Nd(2) is bonded in a distorted linear geometry to one Er(1) and one Re(1) atom. The Nd(2)-Re(1) bond length is 1.86 Å. Re(1) is bonded in a distorted linear geometry to three equivalent Er(1), one Nd(1), and one Nd(2) atom.