data_Ba5Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.87
_cell_length_b   7.87
_cell_length_c   10.74
_cell_angle_alpha   112.03
_cell_angle_beta   112.03
_cell_angle_gamma   32.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba5Cd
_chemical_formula_sum   'Ba5 Cd1'
_cell_volume   328.01
_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
  Ba  Ba0  1  0.04  0.0  0.68  1.0
  Ba  Ba1  1  0.03  0.0  0.03  1.0
  Ba  Ba2  1  0.19  0.0  0.38  1.0
  Ba  Ba3  1  0.21  0.0  0.23  1.0
  Ba  Ba4  1  0.03  0.0  0.88  1.0
  Cd  Cd5  1  0.18  0.0  0.12  1.0

data_Ba5Cd
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.39
_cell_length_b   7.87
_cell_length_c   10.67
_cell_angle_alpha   68.9
_cell_angle_beta   78.13
_cell_angle_gamma   73.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba5Cd
_chemical_formula_sum   'Ba5 Cd1'
_cell_volume   328.01
_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
  Ba  Ba0  1  0.0  0.0  0.03  1.0
  Ba  Ba1  1  0.0  0.14  0.88  1.0
  Ba  Ba2  1  0.0  0.36  0.68  1.0
  Ba  Ba3  1  0.0  0.81  0.38  1.0
  Ba  Ba4  1  0.0  0.98  0.23  1.0
  Cd  Cd5  1  0.0  0.06  0.12  1.0

Ba Ba Ba Ba Ba Cd