data_Ba2AlHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.98
_cell_length_b   4.44
_cell_length_c   7.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2AlHg
_chemical_formula_sum   'Ba2 Al1 Hg1'
_cell_volume   140.86
_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  Ba1  1  0.99  0.22  0.92  1.0
  Ba  Ba2  1  0.99  0.22  0.05  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Hg  Hg3  1  0.0  0.0  0.99  1.0

data_Ba2AlHg
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.44
_cell_length_b   3.98
_cell_length_c   7.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Ba2AlHg
_chemical_formula_sum   'Ba2 Al1 Hg1'
_cell_volume   140.86
_cell_formula_units_Z   1
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  1  0.22  0.0  0.05  1.0
  Ba  Ba1  1  0.22  0.0  0.92  1.0
  Al  Al2  1  0.0  0.0  0.0  1.0
  Hg  Hg3  1  0.0  0.0  0.99  1.0

Ba Ba Al Hg