data_[Li12Be6Co6H36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Be  1.5700  1.0500  0.5900
  Co  1.8800  1.3500  0.7683
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.5057]
_cell_length_b [4.5057]
_cell_length_c [23.4381]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Li2BeCoH6]
_chemical_formula_sum '[Li12 Be6 Co6 H36]'
_cell_volume [412.0682]
_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
[
  Li  Li0  6  0.0000  0.0000  0.1274  1.0
  Li  Li1  6  0.0000  0.0000  0.3040  1.0
  Be  Be2  6  0.0000  0.0000  0.4107  1.0
  Co  Co3  3  -0.0000  -0.0000  0.5000  1.0
  Co  Co4  3  0.0000  0.0000  0.0000  1.0
  H  H5  18  0.0036  0.5018  0.2936  1.0
  H  H6  18  0.0122  0.5061  0.1271  1.0
]