data_[Cs2Ca2Nb2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ca  1.0000  1.8000  1.1400
  Nb  1.6000  1.4500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.2208]
_cell_length_b [6.3413]
_cell_length_c [8.0648]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.7102]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsCaNbO4]
_chemical_formula_sum '[Cs2 Ca2 Nb2 O8]'
_cell_volume [304.7020]
_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  0.2874  0.2500  0.0616  1.0
  Ca  Ca1  2  0.1850  0.2500  0.5379  1.0
  Nb  Nb2  2  0.2776  0.7500  0.3570  1.0
  O  O3  4  0.0733  0.5233  0.3397  1.0
  O  O4  2  0.4580  0.7500  0.2058  1.0
  O  O5  2  0.4913  0.7500  0.5707  1.0
]