data_[Cs6B18H72]
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 [R3c]
_cell_length_a [7.4046]
_cell_length_b [7.4046]
_cell_length_c [24.3133]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [161]
_chemical_formula_structural [Cs(BH4)3]
_chemical_formula_sum '[Cs6 B18 H72]'
_cell_volume [1154.4679]
_cell_formula_units_Z [6]
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  6  0.0000  0.0000  0.3749  1
  B  B1  18  0.1469  0.3611  0.6715  1
  H  H2  18  0.0055  0.4253  0.3852  1
  H  H3  18  0.0305  0.3600  0.6363  1
  H  H4  18  0.0343  0.2866  0.1544  1
  H  H5  18  0.1290  0.0042  0.5069  1
]