data_[Cs9Be6H24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Be  1.5700  1.0500  0.5900
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.0386]
_cell_length_b [6.0386]
_cell_length_c [21.6626]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Cs3(BeH4)2]
_chemical_formula_sum '[Cs9 Be6 H24]'
_cell_volume [684.0817]
_cell_formula_units_Z [3]
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  0.2164  1
  Cs  Cs1  3  0.0000  0.0000  0.0000  1
  Be  Be2  6  0.0000  0.0000  0.4314  1
  H  H3  18  0.0591  0.5296  0.2261  1
  H  H4  6  0.0000  0.0000  0.3620  1
]