data_[Cs2Nb2Fe2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Nb  1.6000  1.4500  0.8200
  Fe  1.8300  1.4000  0.8525
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.8767]
_cell_length_b [6.1391]
_cell_length_c [8.7133]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.3589]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsNbFeO4]
_chemical_formula_sum '[Cs2 Nb2 Fe2 O8]'
_cell_volume [313.8165]
_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  0.1998  0.2500  0.9557  1.0
  Nb  Nb1  2  0.3306  0.7500  0.7066  1.0
  Fe  Fe2  2  0.1143  0.2500  0.4685  1.0
  O  O3  4  0.1648  0.5099  0.6202  1.0
  O  O4  2  0.2965  0.7500  0.9154  1.0
  O  O5  2  0.3538  0.2500  0.3208  1.0
]