data_[Ba3Be6Ni3H24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Be  1.5700  1.0500  0.5900
  Ni  1.9100  1.3500  0.7400
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [4.5064]
_cell_length_b [4.5064]
_cell_length_c [19.3492]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [BaBe2NiH8]
_chemical_formula_sum '[Ba3 Be6 Ni3 H24]'
_cell_volume [340.2987]
_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
[
  Ba  Ba0  3  -0.0000  0.0000  0.5000  1.0
  Be  Be1  6  0.0000  0.0000  0.2678  1.0
  Ni  Ni2  3  0.0000  0.0000  0.0000  1.0
  H  H3  18  0.0098  0.6152  0.6151  1.0
  H  H4  6  0.0000  0.0000  0.1933  1.0
]