data_[Cs2Zr2Al2O8]
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
  Al  1.6100  1.2500  0.6750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.5082]
_cell_length_b [5.7715]
_cell_length_c [7.7938]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.1967]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsZrAlO4]
_chemical_formula_sum '[Cs2 Zr2 Al2 O8]'
_cell_volume [247.3840]
_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  2  0.2626  0.2500  0.9005  1
  Zr  Zr1  2  0.3209  0.7500  0.5288  1
  Al  Al2  2  0.1538  0.2500  0.3588  1
  O  O3  4  0.3788  0.0242  0.3515  1
  O  O4  2  0.0372  0.2500  0.5654  1
  O  O5  2  0.1303  0.7500  0.7574  1
]