data_CsLa2Nd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.2
_cell_length_b   6.2
_cell_length_c   6.2
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsLa2Nd
_chemical_formula_sum   'Cs1 La2 Nd1'
_cell_volume   168.35
_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
  Cs  Cs0  1  0.0  0.0  0.0  1.0
  La  La1  1  0.57  0.57  0.57  1.0
  La  La2  1  0.19  0.19  0.19  1.0
  Nd  Nd3  1  0.38  0.38  0.38  1.0

data_CsLa2Nd
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.2
_cell_length_b   6.2
_cell_length_c   15.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CsLa2Nd
_chemical_formula_sum   'Cs3 La6 Nd3'
_cell_volume   505.05
_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
  Cs  Cs0  3  0.0  0.0  0.0  1.0
  La  La1  3  0.0  0.0  0.43  1.0
  La  La2  3  0.0  0.0  0.81  1.0
  Nd  Nd3  3  0.0  0.0  0.62  1.0

Cs La La Nd
CsNdLa2 crystallizes in the trigonal R3m space group. Cs(1) is bonded in a 1-coordinate geometry to three equivalent Nd(1), one La(2), and three equivalent La(1) atoms. All Cs(1)-Nd(1) bond lengths are 3.66 Å. The Cs(1)-La(2) bond length is 2.90 Å. All Cs(1)-La(1) bond lengths are 3.85 Å. Nd(1) is bonded in a 5-coordinate geometry to three equivalent Cs(1), one La(1), and one La(2) atom. The Nd(1)-La(1) bond length is 2.90 Å. The Nd(1)-La(2) bond length is 2.90 Å. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 4-coordinate geometry to three equivalent Cs(1) and one Nd(1) atom. In the second La site, La(2) is bonded in a distorted linear geometry to one Cs(1) and one Nd(1) atom.