data_Ba4Sb2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   27.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba4Sb2O
_chemical_formula_sum   'Ba4 Sb2 O1'
_cell_volume   752.12
_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  0.23  1.0
  Ba  Ba1  1  0.0  0.0  0.45  1.0
  Ba  Ba2  1  0.0  0.5  0.34  1.0
  Ba  Ba3  1  0.5  0.0  0.34  1.0
  Sb  Sb5  1  0.5  0.5  0.43  1.0
  Sb  Sb6  1  0.5  0.5  0.24  1.0
  O  O4  1  0.0  0.0  0.34  1.0

Ba Ba Ba Ba Sb Sb O 0 5 - - o 0 5 - o o 0 5 o - o 0 5 o o o 0 3 - o o 0 3 o o o 0 2 o - o 0 2 o o o 0 6 o o o 1 4 - - o 1 4 - o o 1 4 o - o 1 4 o o o 1 3 - o o 1 3 o o o 1 2 o - o 1 2 o o o 1 6 o o o 2 6 o o o 2 6 o + o 2 4 o o o 2 4 - o o 2 5 o o o 2 5 - o o 3 6 o o o 3 6 + o o 3 4 o o o 3 4 o - o 3 5 o o o 3 5 o - o 
data_Ba4Sb2O
_symmetry_space_group_name_H-M   P4/mmm
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   27.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   123
_chemical_formula_structural   Ba4Sb2O
_chemical_formula_sum   'Ba4 Sb2 O1'
_cell_volume   752.12
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-y, x, z'
  4  'y, -x, -z'
  5  '-x, -y, z'
  6  'x, y, -z'
  7  'y, -x, z'
  8  '-y, x, -z'
  9  'x, -y, -z'
  10  '-x, y, z'
  11  '-y, -x, -z'
  12  'y, x, z'
  13  '-x, y, -z'
  14  'x, -y, z'
  15  'y, x, -z'
  16  '-y, -x, 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  0.11  1.0
  Ba  Ba1  2  0.0  0.5  0.0  1.0
  Sb  Sb2  2  0.5  0.5  0.09  1.0
  O  O3  1  0.0  0.0  0.0  1.0

Ba Ba Ba Ba Sb Sb O