data_[Li4Al4H48C16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Al  1.6100  1.2500  0.6750
  H  2.2000  0.2500  0.0000
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.3540]
_cell_length_b [11.7014]
_cell_length_c [12.0614]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.9955]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [LiAl(H3C)4]
_chemical_formula_sum '[Li4 Al4 H48 C16]'
_cell_volume [784.3754]
_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  0.1808  0.5489  0.7540  1
  Al  Al1  4  0.1750  0.1764  0.7499  1
  H  H2  4  0.0199  0.1200  0.2592  1
  H  H3  4  0.0340  0.1482  0.9302  1
  H  H4  4  0.0879  0.6583  0.9866  1
  H  H5  4  0.1620  0.5348  0.9331  1
  H  H6  4  0.1822  0.1189  0.1705  1
  H  H7  4  0.1869  0.0224  0.9246  1
  H  H8  4  0.2972  0.6681  0.9326  1
  H  H9  4  0.3431  0.1498  0.9853  1
  H  H10  4  0.3453  0.1226  0.3418  1
  H  H11  4  0.3696  0.6393  0.6628  1
  H  H12  4  0.4574  0.0226  0.7360  1
  H  H13  4  0.4812  0.1556  0.6670  1
  C  C14  4  0.1254  0.6269  0.9117  1
  C  C15  4  0.1730  0.1157  0.9081  1
  C  C16  4  0.1812  0.1508  0.2563  1
  C  C17  4  0.4703  0.1163  0.7471  1
]