data_[Cs8Zr4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Zr  1.3300  1.5500  0.8600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.2379]
_cell_length_b [10.7676]
_cell_length_c [7.3505]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.5555]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2ZrO3]
_chemical_formula_sum '[Cs8 Zr4 O12]'
_cell_volume [473.2431]
_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  0.0000  0.3388  0.0000  1
  Cs  Cs1  2  0.0000  0.0000  0.0000  1
  Cs  Cs2  2  0.0000  0.5000  0.5000  1
  Zr  Zr3  4  0.0000  0.1664  0.5000  1
  O  O4  8  0.2231  0.2151  0.3276  1
  O  O5  4  0.1292  0.0000  0.6687  1
]