data_BaCd2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.81
_cell_length_b   4.91
_cell_length_c   5.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCd2Sb
_chemical_formula_sum   'Ba1 Cd2 Sb1'
_cell_volume   125.94
_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  0.0  0.46  0.67  1.0
  Cd  Cd1  1  0.0  0.0  0.0  1.0
  Cd  Cd2  1  0.4  0.46  0.0  1.0
  Sb  Sb3  1  0.4  0.0  0.67  1.0

data_BaCd2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.81
_cell_length_b   4.91
_cell_length_c   5.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCd2Sb
_chemical_formula_sum   'Ba1 Cd2 Sb1'
_cell_volume   125.94
_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  0.0  0.46  0.67  1.0
  Cd  Cd1  1  0.0  0.0  0.0  1.0
  Cd  Cd2  1  0.4  0.46  0.0  1.0
  Sb  Sb3  1  0.4  0.0  0.67  1.0

Ba Cd Cd Sb
Ba Cd Cd Sb 0 2 - o + 0 2 o o + 0 1 o o + 0 1 o + + 0 3 o o o 0 3 o + o 1 3 - o - 1 3 o o - 1 2 o - o 1 2 o o o 2 3 o o - 2 3 o + - 
BaCd2Sb crystallizes in the triclinic P1 space group. Ba(1) is bonded in a 10-coordinate geometry to three equivalent Cd(1), three equivalent Cd(2), and four equivalent Sb(1) atoms. There are a spread of Ba(1)-Cd(1) bond distances ranging from 2.85-4.21 Å. There are a spread of Ba(1)-Cd(2) bond distances ranging from 2.62-4.06 Å. There are a spread of Ba(1)-Sb(1) bond distances ranging from 2.96-3.92 Å. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 4-coordinate geometry to three equivalent Ba(1) and two equivalent Sb(1) atoms. There is one shorter (2.62 Å) and one longer (3.37 Å) Cd(1)-Sb(1) bond length. In the second Cd site, Cd(2) is bonded in a 1-coordinate geometry to three equivalent Ba(1) and two equivalent Sb(1) atoms. There is one shorter (2.85 Å) and one longer (3.21 Å) Cd(2)-Sb(1) bond length. Sb(1) is bonded in a 8-coordinate geometry to four equivalent Ba(1), two equivalent Cd(1), and two equivalent Cd(2) atoms.