data_BaHCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.44
_cell_length_b   4.44
_cell_length_c   7.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaHCl
_chemical_formula_sum   'Ba2 H2 Cl2'
_cell_volume   144.0
_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  0.0  0.22  0.81  1.0
  Ba  Ba1  1  0.22  0.0  0.52  1.0
  H  H2  1  0.22  0.22  0.0  1.0
  H  H3  1  0.0  0.0  0.0  1.0
  Cl  Cl4  1  0.22  0.0  0.79  1.0
  Cl  Cl5  1  0.0  0.22  0.53  1.0

data_BaHCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.27
_cell_length_b   6.27
_cell_length_c   7.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaHCl
_chemical_formula_sum   'Ba4 H4 Cl4'
_cell_volume   288.0
_cell_formula_units_Z   4
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  0.0  0.0  0.81  1.0
  Ba  Ba1  2  0.22  0.0  0.52  1.0
  H  H2  4  0.11  0.11  0.0  1.0
  Cl  Cl3  2  0.0  0.0  0.53  1.0
  Cl  Cl4  2  0.22  0.0  0.79  1.0

Ba Ba H H Cl Cl
Ba Ba H H Cl Cl 0 4 o o o 1 5 o o o 2 3 o o o 