data_BaCdCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.7
_cell_length_b   7.7
_cell_length_c   7.7
_cell_angle_alpha   148.97
_cell_angle_beta   148.97
_cell_angle_gamma   44.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCdCl
_chemical_formula_sum   'Ba1 Cd1 Cl1'
_cell_volume   120.89
_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  0.0  0.36  1.0
  Cd  Cd1  1  0.0  0.0  0.15  1.0
  Cl  Cl2  1  0.0  0.0  0.74  1.0

data_BaCdCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.83
_cell_length_b   5.83
_cell_length_c   7.7
_cell_angle_alpha   90.0
_cell_angle_beta   112.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaCdCl
_chemical_formula_sum   'Ba2 Cd2 Cl2'
_cell_volume   241.79
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.36  0.0  0.36  1.0
  Cd  Cd1  2  0.15  0.0  0.15  1.0
  Cl  Cl2  2  0.24  0.5  0.74  1.0

Ba Cd Cl
Ba Cd Cl 0 1 o o o 0 2 o o o 1 2 o o - 