data_[Cs2B2H2]
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
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.7944]
_cell_length_b [3.3582]
_cell_length_c [10.1682]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.6842]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsBH]
_chemical_formula_sum '[Cs2 B2 H2]'
_cell_volume [161.8391]
_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  0.0673  0.2500  0.2102  1
  B  B1  2  0.4905  0.2500  0.9703  1
  H  H2  2  0.4498  0.2500  0.8427  1
]