data_[Cs44O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [17.4042]
_cell_length_b [9.0611]
_cell_length_c [23.7754]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.3405]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Cs11O3]
_chemical_formula_sum '[Cs44 O12]'
_cell_volume [3688.5402]
_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  4  0.0628  0.1927  0.4330  1
  Cs  Cs1  4  0.0876  0.0539  0.7819  1
  Cs  Cs2  4  0.1489  0.1670  0.1479  1
  Cs  Cs3  4  0.1609  0.6127  0.4554  1
  Cs  Cs4  4  0.2187  0.1074  0.3227  1
  Cs  Cs5  4  0.2391  0.5880  0.1668  1
  Cs  Cs6  4  0.3036  0.0154  0.8411  1
  Cs  Cs7  4  0.3164  0.2342  0.4717  1
  Cs  Cs8  4  0.3823  0.2173  0.2419  1
  Cs  Cs9  4  0.4381  0.5780  0.8834  1
  Cs  Cs10  4  0.4696  0.6652  0.5968  1
  O  O11  4  0.1777  0.1453  0.8953  1
  O  O12  4  0.2231  0.1575  0.7345  1
  O  O13  4  0.3857  0.2036  0.3666  1
]