data_[Cs1Na1B2H8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Na  0.9300  1.8000  1.1600
  B  2.0400  0.8500  0.4100
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.9291]
_cell_length_b [4.9291]
_cell_length_c [7.8148]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [CsNa(BH4)2]
_chemical_formula_sum '[Cs1 Na1 B2 H8]'
_cell_volume [164.4319]
_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  0.0000  0.1509  1.0
  Na  Na1  1  0.6667  0.3333  0.6863  1.0
  B  B2  1  0.3333  0.6667  0.8294  1.0
  B  B3  1  0.6667  0.3333  0.3616  1.0
  H  H4  3  0.1970  0.8030  0.7758  1.0
  H  H5  3  0.5301  0.0602  0.4123  1.0
  H  H6  1  0.3333  0.6667  0.9863  1.0
  H  H7  1  0.6667  0.3333  0.2049  1.0
]