data_ZrCdSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.62
_cell_length_b   4.62
_cell_length_c   4.62
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCdSi
_chemical_formula_sum   'Zr1 Cd1 Si1'
_cell_volume   69.54
_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
  Zr  Zr2  1  0.63  0.63  0.63  1.0
  Cd  Cd0  1  0.26  0.26  0.26  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0

data_ZrCdSi
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.62
_cell_length_b   4.62
_cell_length_c   11.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   ZrCdSi
_chemical_formula_sum   'Zr3 Cd3 Si3'
_cell_volume   208.61
_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
  Zr  Zr0  3  0.0  0.0  0.37  1.0
  Cd  Cd1  3  0.0  0.0  0.74  1.0
  Si  Si2  3  0.0  0.0  -0.0  1.0

Zr Cd Si
ZrCdSi crystallizes in the trigonal R3m space group. Zr(1) is bonded in a hexagonal planar geometry to three equivalent Cd(1) and three equivalent Si(1) atoms. All Zr(1)-Cd(1) bond lengths are 2.69 Å. All Zr(1)-Si(1) bond lengths are 2.69 Å. Cd(1) is bonded to three equivalent Zr(1) and four equivalent Si(1) atoms to form distorted CdZr3Si4 hexagonal pyramids that share corners with three equivalent Si(1)Zr3Cd4 hexagonal pyramids, corners with six equivalent Cd(1)Zr3Si4 hexagonal pyramids, edges with three equivalent Si(1)Zr3Cd4 hexagonal pyramids, and edges with six equivalent Cd(1)Zr3Si4 hexagonal pyramids. There are three shorter (2.78 Å) and one longer (2.98 Å) Cd(1)-Si(1) bond length. Si(1) is bonded to three equivalent Zr(1) and four equivalent Cd(1) atoms to form distorted SiZr3Cd4 hexagonal pyramids that share corners with three equivalent Cd(1)Zr3Si4 hexagonal pyramids, corners with six equivalent Si(1)Zr3Cd4 hexagonal pyramids, edges with three equivalent Cd(1)Zr3Si4 hexagonal pyramids, and edges with six equivalent Si(1)Zr3Cd4 hexagonal pyramids.