data_Cs2BaO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.5
_cell_length_b   7.05
_cell_length_c   7.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cs2BaO2
_chemical_formula_sum   'Cs8 Ba4 O8'
_cell_volume   596.81
_cell_formula_units_Z   4
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
  Cs  Cs0  1  0.83  0.91  0.39  1.0
  Cs  Cs1  1  0.83  0.14  0.71  1.0
  Cs  Cs2  1  0.92  0.62  0.71  1.0
  Cs  Cs3  1  0.92  0.43  0.39  1.0
  Cs  Cs4  1  0.58  0.62  0.97  1.0
  Cs  Cs5  1  0.58  0.43  0.65  1.0
  Cs  Cs6  1  0.67  0.91  0.65  1.0
  Cs  Cs7  1  0.67  0.14  0.97  1.0
  Ba  Ba8  1  0.0  0.19  0.84  1.0
  Ba  Ba9  1  0.0  0.86  0.52  1.0
  Ba  Ba10  1  0.75  0.34  0.52  1.0
  Ba  Ba11  1  0.75  0.71  0.84  1.0
  O  O12  1  0.22  0.36  0.18  1.0
  O  O13  1  0.22  0.69  0.5  1.0
  O  O14  1  0.53  0.16  0.5  1.0
  O  O15  1  0.53  0.89  0.18  1.0
  O  O16  1  0.97  0.16  0.18  1.0
  O  O17  1  0.97  0.89  0.86  1.0
  O  O18  1  0.29  0.36  0.86  1.0
  O  O19  1  0.29  0.69  0.18  1.0

data_Cs2BaO2
_symmetry_space_group_name_H-M   P1
_cell_length_a   7.05
_cell_length_b   7.36
_cell_length_c   11.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cs2BaO2
_chemical_formula_sum   'Cs8 Ba4 O8'
_cell_volume   596.81
_cell_formula_units_Z   4
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
  Cs  Cs0  1  0.14  0.71  0.83  1.0
  Cs  Cs1  1  0.14  0.97  0.67  1.0
  Cs  Cs2  1  0.43  0.39  0.92  1.0
  Cs  Cs3  1  0.43  0.65  0.58  1.0
  Cs  Cs4  1  0.62  0.71  0.92  1.0
  Cs  Cs5  1  0.62  0.97  0.58  1.0
  Cs  Cs6  1  0.91  0.39  0.83  1.0
  Cs  Cs7  1  0.91  0.65  0.67  1.0
  Ba  Ba8  1  0.19  0.84  0.0  1.0
  Ba  Ba9  1  0.34  0.52  0.75  1.0
  Ba  Ba10  1  0.71  0.84  0.75  1.0
  Ba  Ba11  1  0.86  0.52  0.0  1.0
  O  O12  1  0.16  0.18  0.97  1.0
  O  O13  1  0.16  0.5  0.53  1.0
  O  O14  1  0.36  0.18  0.22  1.0
  O  O15  1  0.36  0.86  0.29  1.0
  O  O16  1  0.69  0.18  0.29  1.0
  O  O17  1  0.69  0.5  0.22  1.0
  O  O18  1  0.89  0.18  0.53  1.0
  O  O19  1  0.89  0.86  0.97  1.0

Cs Cs Cs Cs Cs Cs Cs Cs Ba Ba Ba Ba O O O O O O O O