data_[Cs8Zr2O8]
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 [10.4123]
_cell_length_b [6.8801]
_cell_length_c [6.5870]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.7921]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs4ZrO4]
_chemical_formula_sum '[Cs8 Zr2 O8]'
_cell_volume [451.7574]
_cell_formula_units_Z [2]
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  0.1080  0.5000  0.8331  1
  Cs  Cs1  4  0.1881  0.0000  0.5904  1
  Zr  Zr2  2  0.0000  0.0000  0.0000  1
  O  O3  8  0.1096  0.2091  0.1959  1
]