data_Ba4Sb2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.96
_cell_length_b   9.96
_cell_length_c   9.96
_cell_angle_alpha   148.96
_cell_angle_beta   148.96
_cell_angle_gamma   44.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba4Sb2O
_chemical_formula_sum   'Ba4 Sb2 O1'
_cell_volume   262.08
_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  0.16  1.0
  Ba  Ba1  1  0.0  0.0  0.29  1.0
  Ba  Ba2  1  0.67  0.0  0.0  1.0
  Ba  Ba3  1  0.0  0.67  0.0  1.0
  Sb  Sb4  1  0.0  0.0  0.69  1.0
  Sb  Sb5  1  0.0  0.0  0.76  1.0
  O  O6  1  0.0  0.0  0.0  1.0

data_Ba4Sb2O
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.54
_cell_length_b   7.54
_cell_length_c   9.96
_cell_angle_alpha   90.0
_cell_angle_beta   112.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ba4Sb2O
_chemical_formula_sum   'Ba8 Sb4 O2'
_cell_volume   524.15
_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  4  0.17  0.17  0.33  1.0
  Ba  Ba1  2  0.16  0.0  0.16  1.0
  Ba  Ba2  2  0.29  0.0  0.29  1.0
  Sb  Sb3  2  0.19  0.5  0.69  1.0
  Sb  Sb4  2  0.26  0.5  0.76  1.0
  O  O5  2  0.0  0.0  0.0  1.0

Ba Ba Ba Ba Sb Sb O