data_[Cs1Ba2B2O6]
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
  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 [6.0497]
_cell_length_b [6.4434]
_cell_length_c [6.9615]
_cell_angle_alpha [98.4673]
_cell_angle_beta [115.0189]
_cell_angle_gamma [104.7274]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsBa2(BO3)2]
_chemical_formula_sum '[Cs1 Ba2 B2 O6]'
_cell_volume [227.5539]
_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  0.0000  0.5000  0.5000  1.0
  Ba  Ba1  2  0.3776  0.7877  0.1732  1.0
  B  B2  2  0.2983  0.2487  0.2173  1.0
  O  O3  2  0.1244  0.3583  0.1415  1.0
  O  O4  2  0.3276  0.1586  0.3917  1.0
  O  O5  2  0.4503  0.2259  0.1173  1.0
]