data_[K3Ce3Be6H24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ce  1.1200  1.8500  1.0800
  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 [4.6395]
_cell_length_b [4.6395]
_cell_length_c [21.3070]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [KCe(BeH4)2]
_chemical_formula_sum '[K3 Ce3 Be6 H24]'
_cell_volume [397.1833]
_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
[
  K  K0  3  0.0000  0.0000  0.0000  1.0
  Ce  Ce1  3  -0.0000  -0.0000  0.5000  1.0
  Be  Be2  6  0.0000  0.0000  0.2362  1.0
  H  H3  18  0.0031  0.5015  0.0771  1.0
  H  H4  6  0.0000  0.0000  0.1663  1.0
]