data_NaLaCrCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLaCrCd
_chemical_formula_sum   'Na1 La1 Cr1 Cd1'
_cell_volume   99.02
_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
  Na  Na3  1  0.0  0.0  0.0  1.0
  La  La2  1  0.84  0.84  0.84  1.0
  Cr  Cr1  1  0.67  0.67  0.67  1.0
  Cd  Cd0  1  0.51  0.51  0.51  1.0

data_NaLaCrCd
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   12.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   NaLaCrCd
_chemical_formula_sum   'Na3 La3 Cr3 Cd3'
_cell_volume   297.05
_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
  Na  Na0  3  0.0  0.0  0.0  1.0
  La  La1  3  0.0  0.0  0.16  1.0
  Cr  Cr2  3  0.0  0.0  0.33  1.0
  Cd  Cd3  3  0.0  0.0  0.49  1.0

Na La Cr Cd
Na La Cr Cd 0 1 - - - 1 2 o o o 2 3 o o o 
NaLaCrCd crystallizes in the trigonal R3m space group. Na(1) is bonded to one La(1) and three equivalent Cr(1) atoms to form distorted NaLaCr3 trigonal pyramids that share  a cornercorner with one Cr(1)Na3LaCd trigonal bipyramid, corners with three equivalent La(1)NaCrCd3 trigonal bipyramids, corners with six equivalent Na(1)LaCr3 trigonal pyramids, and edges with three equivalent Cd(1)La3Cr trigonal pyramids. The Na(1)-La(1) bond length is 2.09 Å. All Na(1)-Cr(1) bond lengths are 3.00 Å. La(1) is bonded to one Na(1), one Cr(1), and three equivalent Cd(1) atoms to form distorted LaNaCrCd3 trigonal bipyramids that share corners with six equivalent La(1)NaCrCd3 trigonal bipyramids,  a cornercorner with one Cd(1)La3Cr trigonal pyramid, corners with three equivalent Na(1)LaCr3 trigonal pyramids, and edges with three equivalent Cr(1)Na3LaCd trigonal bipyramids. The La(1)-Cr(1) bond length is 2.09 Å. All La(1)-Cd(1) bond lengths are 3.00 Å. Cr(1) is bonded to three equivalent Na(1), one La(1), and one Cd(1) atom to form distorted CrNa3LaCd trigonal bipyramids that share corners with six equivalent Cr(1)Na3LaCd trigonal bipyramids,  a cornercorner with one Na(1)LaCr3 trigonal pyramid, corners with three equivalent Cd(1)La3Cr trigonal pyramids, and edges with three equivalent La(1)NaCrCd3 trigonal bipyramids. The Cr(1)-Cd(1) bond length is 2.09 Å. Cd(1) is bonded to three equivalent La(1) and one Cr(1) atom to form distorted CdLa3Cr trigonal pyramids that share  a cornercorner with one La(1)NaCrCd3 trigonal bipyramid, corners with three equivalent Cr(1)Na3LaCd trigonal bipyramids, corners with six equivalent Cd(1)La3Cr trigonal pyramids, and edges with three equivalent Na(1)LaCr3 trigonal pyramids.