data_[Cs1Cd2B2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Cd  1.6900  1.5500  1.0900
  B  2.0400  0.8500  0.4100
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.6638]
_cell_length_b [5.7927]
_cell_length_c [7.0205]
_cell_angle_alpha [111.5882]
_cell_angle_beta [108.7761]
_cell_angle_gamma [92.3277]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsCd2(BO3)2]
_chemical_formula_sum '[Cs1 Cd2 B2 O6]'
_cell_volume [199.4418]
_cell_formula_units_Z [1]
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  1  0.5000  0.5000  0.0000  1.0
  Cd  Cd1  2  0.1854  0.7762  0.5414  1.0
  B  B2  2  0.2373  0.2269  0.3278  1.0
  O  O3  2  0.0600  0.3766  0.2775  1.0
  O  O4  2  0.1935  0.1190  0.4638  1.0
  O  O5  2  0.4321  0.1952  0.2526  1.0
]