data_CaCdSiSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   5.18
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCdSiSn
_chemical_formula_sum   'Ca1 Cd1 Si1 Sn1'
_cell_volume   98.01
_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
  Ca  Ca0  1  0.49  0.49  0.49  1.0
  Cd  Cd1  1  0.66  0.66  0.66  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.83  0.83  0.83  1.0

data_CaCdSiSn
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   12.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CaCdSiSn
_chemical_formula_sum   'Ca3 Cd3 Si3 Sn3'
_cell_volume   294.02
_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
  Ca  Ca0  3  0.0  0.0  0.51  1.0
  Cd  Cd1  3  0.0  0.0  0.34  1.0
  Si  Si2  3  0.0  0.0  0.0  1.0
  Sn  Sn3  3  0.0  0.0  0.17  1.0

Ca Cd Si Sn
Ca Cd Si Sn 0 1 o o o 1 3 o o o 2 3 - - - 
CaCdSnSi crystallizes in the trigonal R3m space group. Ca(1) is bonded to one Cd(1) and three equivalent Sn(1) atoms to form distorted CaCdSn3 trigonal pyramids that share  a cornercorner with one Sn(1)Ca3CdSi trigonal bipyramid and corners with six equivalent Ca(1)CdSn3 trigonal pyramids. The Ca(1)-Cd(1) bond length is 2.16 Å. All Ca(1)-Sn(1) bond lengths are 2.99 Å. Cd(1) is bonded in a distorted linear geometry to one Ca(1), one Sn(1), and three equivalent Si(1) atoms. The Cd(1)-Sn(1) bond length is 2.16 Å. All Cd(1)-Si(1) bond lengths are 2.99 Å. Sn(1) is bonded to three equivalent Ca(1), one Cd(1), and one Si(1) atom to form SnCa3CdSi trigonal bipyramids that share corners with six equivalent Sn(1)Ca3CdSi trigonal bipyramids and  a cornercorner with one Ca(1)CdSn3 trigonal pyramid. The Sn(1)-Si(1) bond length is 2.16 Å. Si(1) is bonded in a 4-coordinate geometry to three equivalent Cd(1) and one Sn(1) atom.