data_[Cs4Fe4O8]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.6213]
_cell_length_b [6.2905]
_cell_length_c [7.7441]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.2616]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsFeO2]
_chemical_formula_sum '[Cs4 Fe4 O8]'
_cell_volume [377.9213]
_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  0.1450  0.5000  0.3030  1.0
  Fe  Fe1  4  0.1416  0.0000  0.9989  1.0
  O  O2  4  0.1056  0.0000  0.2206  1.0
  O  O3  4  0.2500  0.2500  0.0000  1.0
]