data_BaSrCd4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.32
_cell_length_b   6.32
_cell_length_c   6.32
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSrCd4
_chemical_formula_sum   'Ba1 Sr1 Cd4'
_cell_volume   178.27
_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
  Ba  Ba0  1  0.23  0.23  0.23  1.0
  Sr  Sr5  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.35  0.35  0.58  1.0
  Cd  Cd2  1  0.35  0.58  0.35  1.0
  Cd  Cd3  1  0.58  0.35  0.35  1.0
  Cd  Cd4  1  0.58  0.58  0.58  1.0

data_BaSrCd4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.32
_cell_length_b   6.32
_cell_length_c   15.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   BaSrCd4
_chemical_formula_sum   'Ba3 Sr3 Cd12'
_cell_volume   534.8
_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
  Ba  Ba0  3  0.0  0.0  0.77  1.0
  Sr  Sr1  3  0.0  0.0  0.0  1.0
  Cd  Cd2  9  0.08  0.16  0.57  1.0
  Cd  Cd3  3  0.0  0.0  0.42  1.0

Ba Sr Cd Cd Cd Cd
Ba Sr Cd Cd Cd Cd 0 1 o o o 0 1 o o + 0 1 + o o 0 1 o + o 0 3 o - o 0 3 o o o 0 4 - o o 0 4 o o o 0 5 - o o 0 5 o - o 0 5 o o - 0 2 o o - 0 2 o o o 1 5 - - o 1 5 - o - 1 5 o - - 1 4 - o o 1 3 o - o 1 2 o o - 2 4 o o o 2 3 o o o 2 5 o o o 3 4 o o o 3 5 o o o 4 5 o o o 
BaSrCd4 crystallizes in the trigonal R3m space group. Ba(1) is bonded in a 13-coordinate geometry to four equivalent Sr(1), three equivalent Cd(2), and six equivalent Cd(1) atoms. There is one shorter (3.61 Å) and three longer (3.96 Å) Ba(1)-Sr(1) bond lengths. All Ba(1)-Cd(2) bond lengths are 3.66 Å. There are three shorter (3.13 Å) and three longer (3.52 Å) Ba(1)-Cd(1) bond lengths. Sr(1) is bonded in a 3-coordinate geometry to four equivalent Ba(1), three equivalent Cd(1), and three equivalent Cd(2) atoms. All Sr(1)-Cd(1) bond lengths are 3.16 Å. All Sr(1)-Cd(2) bond lengths are 3.87 Å. There are two inequivalent Cd sites. In the first Cd site, Cd(2) is bonded in a 9-coordinate geometry to three equivalent Ba(1), three equivalent Sr(1), and three equivalent Cd(1) atoms. All Cd(2)-Cd(1) bond lengths are 2.56 Å. In the second Cd site, Cd(1) is bonded in a 6-coordinate geometry to two equivalent Ba(1), one Sr(1), one Cd(2), and two equivalent Cd(1) atoms. Both Cd(1)-Cd(1) bond lengths are 1.48 Å.