data_[Li4H24C12Br4N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  H  2.2000  0.2500  0.0000
  C  2.5500  0.7000  0.3000
  Br  2.9600  1.1500  0.8825
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [4.1877]
_cell_length_b [17.2268]
_cell_length_c [8.8237]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.1062]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [LiH6C3BrN2]
_chemical_formula_sum '[Li4 H24 C12 Br4 N8]'
_cell_volume [628.5250]
_cell_formula_units_Z [4]
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  4  0.2651  0.0612  0.0596  1
  H  H1  4  0.0669  0.6387  0.7997  1
  H  H2  4  0.1871  0.7261  0.7141  1
  H  H3  4  0.2174  0.1499  0.3849  1
  H  H4  4  0.2884  0.0818  0.5403  1
  H  H5  4  0.3990  0.6033  0.0701  1
  H  H6  4  0.4012  0.6369  0.6976  1
  C  C7  4  0.2735  0.6722  0.7728  1
  C  C8  4  0.3880  0.2392  0.0659  1
  C  C9  4  0.3973  0.1279  0.4788  1
  Br  Br10  4  0.1879  0.5135  0.3095  1
  N  N11  4  0.2832  0.1758  0.0507  1
  N  N12  4  0.4890  0.6911  0.9154  1
]