data_[Li4H36C28Se4N16]
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
  Se  2.5500  1.1500  1.0133
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.8421]
_cell_length_b [7.3334]
_cell_length_c [21.0510]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.9542]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [LiH9C7SeN4]
_chemical_formula_sum '[Li4 H36 C28 Se4 N16]'
_cell_volume [1130.5707]
_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  0.1272  0.1499  0.9212  1
  H  H1  4  0.0590  0.1140  0.7417  1
  H  H2  4  0.0758  0.0026  0.6684  1
  H  H3  4  0.2481  0.0043  0.4665  1
  H  H4  4  0.2580  0.1463  0.7198  1
  H  H5  4  0.3731  0.7046  0.9912  1
  H  H6  4  0.3875  0.0436  0.1711  1
  H  H7  4  0.3953  0.5664  0.3374  1
  H  H8  4  0.4162  0.5187  0.0502  1
  H  H9  4  0.4846  0.6471  0.6437  1
  C  C10  4  0.0249  0.2175  0.1585  1
  C  C11  4  0.1093  0.1271  0.6994  1
  C  C12  4  0.1761  0.6594  0.0346  1
  C  C13  4  0.2927  0.0895  0.3393  1
  C  C14  4  0.3106  0.5908  0.0089  1
  C  C15  4  0.3841  0.0589  0.0714  1
  Se  Se16  4  0.4014  0.5530  0.7966  1
  C  C17  4  0.4699  0.0019  0.1409  1
  N  N18  4  0.0423  0.5915  0.3747  1
  N  N19  4  0.0704  0.7163  0.0567  1
  N  N20  4  0.2214  0.1852  0.3679  1
  N  N21  4  0.3140  0.1036  0.0150  1
]