data_[Cs8Ba8Nb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ba  0.8900  2.1500  1.4900
  Nb  1.6000  1.4500  0.8200
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [25.5566]
_cell_length_b [4.6030]
_cell_length_c [14.6354]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.5112]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CsBaNb]
_chemical_formula_sum '[Cs8 Ba8 Nb8]'
_cell_volume [1451.8455]
_cell_formula_units_Z [8]
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  0.0787  0.5000  0.3161  1
  Cs  Cs1  2  0.1571  0.5000  0.9216  1
  Cs  Cs2  2  0.2577  0.5000  0.6717  1
  Cs  Cs3  2  0.4957  0.5000  0.9702  1
  Ba  Ba4  2  0.0384  0.0000  0.5576  1
  Ba  Ba5  2  0.2503  0.0000  0.2963  1
  Ba  Ba6  2  0.3556  0.0000  0.0554  1
  Ba  Ba7  2  0.4151  0.0000  0.6256  1
  Nb  Nb8  2  0.3254  0.5000  0.2112  1
  Nb  Nb9  2  0.3818  0.5000  0.4155  1
  Nb  Nb10  2  0.4057  0.0000  0.3434  1
  Nb  Nb11  2  0.4380  0.5000  0.2831  1
]