data_Ba2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.66
_cell_length_b   8.66
_cell_length_c   7.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   30.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2Cl
_chemical_formula_sum   'Ba4 Cl2'
_cell_volume   281.55
_cell_formula_units_Z   2
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  0.72  0.14  0.64  1.0
  Ba  Ba1  1  1.0  0.86  0.88  1.0
  Ba  Ba2  1  1.0  0.14  0.64  1.0
  Ba  Ba3  1  0.72  0.86  0.88  1.0
  Cl  Cl4  1  0.36  0.91  0.64  1.0
  Cl  Cl5  1  0.36  0.09  0.88  1.0

data_Ba2Cl
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.48
_cell_length_b   7.51
_cell_length_c   8.66
_cell_angle_alpha   90.0
_cell_angle_beta   105.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Ba2Cl
_chemical_formula_sum   'Ba4 Cl2'
_cell_volume   281.55
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.14  0.38  0.5  1.0
  Ba  Ba1  2  0.14  0.38  0.77  1.0
  Cl  Cl2  2  0.09  0.62  0.09  1.0

Ba Ba Ba Ba Cl Cl
Ba Ba Ba Ba Cl Cl 0 1 o - o 0 2 o o o 1 3 o o o 2 4 + - o 3 5 o + o 