data_[Cs2Nd2Ti2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Nd  1.1400  1.8500  1.2765
  Ti  1.5400  1.4000  0.8517
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.1269]
_cell_length_b [6.2006]
_cell_length_c [8.1460]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0346]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsNdTiO4]
_chemical_formula_sum '[Cs2 Nd2 Ti2 O8]'
_cell_volume [294.2640]
_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  0.3048  0.2500  0.0710  1.0
  Nd  Nd1  2  0.1970  0.2500  0.5440  1.0
  Ti  Ti2  2  0.2646  0.7500  0.3496  1.0
  O  O3  4  0.0587  0.5249  0.3386  1.0
  O  O4  2  0.4559  0.7500  0.2159  1.0
  O  O5  2  0.4718  0.7500  0.5589  1.0
]