data_[Li6B15H15]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  B  2.0400  0.8500  0.4100
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.5280]
_cell_length_b [5.5280]
_cell_length_c [16.6661]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Li2(BH)5]
_chemical_formula_sum '[Li6 B15 H15]'
_cell_volume [441.0653]
_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
[
  Li  Li0  3  0.0000  0.0000  0.5073  1
  Li  Li1  3  0.0000  0.0000  0.9807  1
  B  B2  9  0.1066  0.2133  0.2511  1
  B  B3  3  0.0000  0.0000  0.1718  1
  B  B4  3  0.0000  0.0000  0.3299  1
  H  H5  9  0.2125  0.1063  0.6015  1
  H  H6  3  0.0000  0.0000  0.0999  1
  H  H7  3  0.0000  0.0000  0.4007  1
]