data_Ba2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.86
_cell_length_b   8.86
_cell_length_c   4.44
_cell_angle_alpha   103.22
_cell_angle_beta   103.22
_cell_angle_gamma   27.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2Cl
_chemical_formula_sum   'Ba2 Cl1'
_cell_volume   157.78
_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  0.22  0.0  0.64  1.0
  Ba  Ba1  1  0.93  0.0  0.67  1.0
  Cl  Cl2  1  0.0  0.0  0.0  1.0

data_Ba2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.25
_cell_length_b   4.44
_cell_length_c   8.86
_cell_angle_alpha   103.22
_cell_angle_beta   103.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2Cl
_chemical_formula_sum   'Ba2 Cl1'
_cell_volume   157.78
_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  0.64  0.22  1.0
  Ba  Ba1  1  0.0  0.67  0.93  1.0
  Cl  Cl2  1  0.0  0.0  0.0  1.0

Ba Ba Cl