data_[Ce3Be6Cu3H24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Be  1.5700  1.0500  0.5900
  Cu  1.9000  1.3500  0.8200
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [4.2638]
_cell_length_b [4.2638]
_cell_length_c [18.2181]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [CeBe2CuH8]
_chemical_formula_sum '[Ce3 Be6 Cu3 H24]'
_cell_volume [286.8295]
_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
[
  Ce  Ce0  3  -0.0000  0.0000  0.5000  1.0
  Be  Be1  6  0.0000  0.0000  0.2598  1.0
  Cu  Cu2  3  0.0000  0.0000  0.0000  1.0
  H  H3  18  0.0012  0.6622  0.0606  1.0
  H  H4  6  0.0000  0.0000  0.1776  1.0
]