data_Ba2AlSb3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.26
_cell_length_b   4.26
_cell_length_c   11.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2AlSb3O8
_chemical_formula_sum   'Ba2 Al1 Sb3 O8'
_cell_volume   215.6
_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  0.0  0.08  1.0
  Ba  Ba1  1  0.0  0.0  0.79  1.0
  Al  Al2  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.13  0.13  0.17  1.0
  Sb  Sb4  1  0.13  0.13  0.94  1.0
  Sb  Sb5  1  0.13  0.13  0.71  1.0
  O  O6  1  0.13  0.0  0.97  1.0
  O  O7  1  0.0  0.13  0.97  1.0
  O  O8  1  0.0  0.13  0.94  1.0
  O  O9  1  0.13  0.13  0.05  1.0
  O  O10  1  0.13  0.0  0.9  1.0
  O  O11  1  0.0  0.13  0.9  1.0
  O  O12  1  0.13  0.13  0.82  1.0
  O  O13  1  0.13  0.0  0.94  1.0

data_Ba2AlSb3O8
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.03
_cell_length_b   6.03
_cell_length_c   11.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ba2AlSb3O8
_chemical_formula_sum   'Ba4 Al2 Sb6 O16'
_cell_volume   431.2
_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  0.0  0.0  0.08  1.0
  Ba  Ba1  2  0.0  0.0  0.79  1.0
  Al  Al2  2  0.0  0.0  0.0  1.0
  Sb  Sb3  2  0.13  0.0  0.17  1.0
  Sb  Sb4  2  0.13  0.0  0.71  1.0
  Sb  Sb5  2  0.13  0.0  0.94  1.0
  O  O6  4  0.07  0.07  0.94  1.0
  O  O7  4  0.07  0.07  0.9  1.0
  O  O8  4  0.07  0.07  0.97  1.0
  O  O9  2  0.13  0.0  0.05  1.0
  O  O10  2  0.13  0.0  0.82  1.0

Ba Ba Al Sb Sb Sb O O O O O O O O
Ba Ba Al Sb Sb Sb O O O O O O O O 0 9 o o o 0 2 o o o 0 3 o o o 1 12 o o o 1 5 o o o 2 7 o o - 2 6 o o - 2 9 o o o 3 9 o o o 4 11 o o o 4 8 o o o 4 7 o o o 4 10 o o o 4 13 o o o 4 6 o o o 5 12 o o o 6 13 o o o 7 8 o o o 8 11 o o o 10 13 o o o 