data_[Cs3B2O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  B  2.0400  0.8500  0.4100
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.7360]
_cell_length_b [4.1583]
_cell_length_c [10.0168]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.3180]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Cs3(BO2)2]
_chemical_formula_sum '[Cs3 B2 O4]'
_cell_volume [279.3676]
_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  2  0.3466  0.0000  0.6563  1
  Cs  Cs1  1  0.0000  0.0000  0.0000  1
  B  B2  2  0.1382  0.5000  0.3227  1
  O  O3  2  0.0203  0.5000  0.7575  1
  O  O4  2  0.2930  0.5000  0.4054  1
]