data_Ba2CdSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   8.68
_cell_angle_alpha   106.28
_cell_angle_beta   106.28
_cell_angle_gamma   58.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2CdSb
_chemical_formula_sum   'Ba2 Cd1 Sb1'
_cell_volume   188.13
_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  0.08  0.0  0.33  1.0
  Ba  Ba1  1  0.12  0.0  0.9  1.0
  Cd  Cd2  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.1  0.0  0.11  1.0

data_Ba2CdSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.08
_cell_length_b   5.17
_cell_length_c   8.68
_cell_angle_alpha   106.28
_cell_angle_beta   90.0
_cell_angle_gamma   119.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2CdSb
_chemical_formula_sum   'Ba2 Cd1 Sb1'
_cell_volume   188.13
_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  0.88  0.1  1.0
  Ba  Ba1  1  0.0  0.92  0.67  1.0
  Cd  Cd2  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.0  0.9  0.89  1.0

Ba Ba Cd Sb