data_[Li4Mn4H112C56N32O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Mn  1.5500  1.4000  0.6483
  H  2.2000  0.2500  0.0000
  C  2.5500  0.7000  0.3000
  N  3.0400  0.6500  0.6300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.8515]
_cell_length_b [8.5025]
_cell_length_c [16.1272]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.1519]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LiMnH28C14(N4O)2]
_chemical_formula_sum '[Li4 Mn4 H112 C56 N32 O8]'
_cell_volume [2017.9998]
_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  0.0000  0.3992  0.7500  1
  Mn  Mn1  4  0.2500  0.2500  0.5000  1
  H  H2  8  0.0100  0.1986  0.4059  1
  H  H3  8  0.0235  0.2819  0.9705  1
  H  H4  8  0.0508  0.4563  0.1016  1
  H  H5  8  0.0599  0.0275  0.1125  1
  H  H6  8  0.0817  0.1533  0.2105  1
  H  H7  8  0.0898  0.2323  0.6748  1
  H  H8  8  0.0919  0.1720  0.7686  1
  H  H9  8  0.0967  0.1173  0.9906  1
  H  H10  8  0.1391  0.3127  0.9973  1
  H  H11  8  0.1404  0.4147  0.2183  1
  H  H12  8  0.1672  0.4803  0.1284  1
  H  H13  8  0.2160  0.0594  0.1474  1
  H  H14  8  0.2374  0.1872  0.2451  1
  H  H15  8  0.2386  0.2468  0.8460  1
  C  C16  8  0.0583  0.1489  0.1341  1
  C  C17  8  0.0932  0.2390  0.0107  1
  C  C18  8  0.1203  0.4115  0.1428  1
  C  C19  8  0.1508  0.3854  0.4069  1
  C  C20  8  0.1770  0.2156  0.5626  1
  C  C21  8  0.1897  0.0695  0.4136  1
  C  C22  8  0.2163  0.1812  0.1694  1
  N  N23  8  0.0903  0.4635  0.3530  1
  N  N24  8  0.1219  0.2448  0.1143  1
  N  N25  8  0.1319  0.1991  0.5990  1
  N  N26  8  0.1543  0.0362  0.8616  1
  O  O27  8  0.0635  0.2509  0.7171  1
]