data_[Cs2Fe2As2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Fe  1.8300  1.4000  0.8525
  As  2.1800  1.1500  0.6600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.6725]
_cell_length_b [6.1386]
_cell_length_c [8.0091]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1635]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsFeAsO4]
_chemical_formula_sum '[Cs2 Fe2 As2 O8]'
_cell_volume [266.4684]
_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  0.2948  0.2500  0.0613  1.0
  Fe  Fe1  2  0.1357  0.2500  0.5032  1.0
  As  As2  2  0.2565  0.7500  0.3341  1.0
  O  O3  4  0.0535  0.5392  0.3499  1.0
  O  O4  2  0.3128  0.7500  0.1376  1.0
  O  O5  2  0.4855  0.2500  0.4886  1.0
]