data_BaAlIn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.52
_cell_length_b   5.52
_cell_length_c   5.52
_cell_angle_alpha   120.82
_cell_angle_beta   120.82
_cell_angle_gamma   88.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaAlIn2
_chemical_formula_sum   'Ba1 Al1 In2'
_cell_volume   117.24
_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  0.0  0.0  0.95  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  In  In2  1  0.0  0.72  0.97  1.0
  In  In3  1  0.72  0.0  0.97  1.0

data_BaAlIn2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.71
_cell_length_b   7.71
_cell_length_c   5.52
_cell_angle_alpha   90.0
_cell_angle_beta   134.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaAlIn2
_chemical_formula_sum   'Ba2 Al2 In4'
_cell_volume   234.48
_cell_formula_units_Z   2
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  0.05  0.0  0.05  1.0
  Al  Al1  2  0.0  0.0  0.0  1.0
  In  In2  4  0.39  0.36  0.75  1.0

Ba Al In In