data_[Ho4Al12H144C48]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  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 [C2/c]
_cell_length_a [10.7527]
_cell_length_b [15.6659]
_cell_length_c [12.4464]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.6439]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [HoAl3(H3C)12]
_chemical_formula_sum '[Ho4 Al12 H144 C48]'
_cell_volume [2045.7675]
_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
[
  Ho  Ho0  4  0.0000  0.2704  0.7500  1
  Al  Al1  8  0.0438  0.1754  0.5483  1
  Al  Al2  4  0.0000  0.4639  0.7500  1
  H  H3  8  0.0382  0.4430  0.0895  1
  H  H4  8  0.0424  0.2434  0.3554  1
  H  H5  8  0.0810  0.1684  0.1528  1
  H  H6  8  0.0899  0.3529  0.9306  1
  H  H7  8  0.0970  0.2730  0.1015  1
  H  H8  8  0.1084  0.1265  0.7983  1
  H  H9  8  0.1151  0.0289  0.4892  1
  H  H10  8  0.1395  0.0300  0.6349  1
  H  H11  8  0.1441  0.3376  0.6347  1
  H  H12  8  0.1501  0.1080  0.9382  1
  H  H13  8  0.1549  0.4199  0.2104  1
  H  H14  8  0.1698  0.4438  0.9034  1
  H  H15  8  0.1709  0.4882  0.6312  1
  H  H16  8  0.1916  0.2050  0.8911  1
  H  H17  8  0.2039  0.3495  0.8450  1
  H  H18  8  0.2278  0.2626  0.5776  1
  H  H19  8  0.2314  0.2539  0.7158  1
  H  H20  8  0.2479  0.0835  0.5696  1
  C  C21  8  0.0295  0.2199  0.1010  1
  C  C22  8  0.1014  0.4722  0.1619  1
  C  C23  8  0.1120  0.1585  0.8784  1
  C  C24  8  0.1226  0.3860  0.8630  1
  C  C25  8  0.1460  0.0692  0.5627  1
  C  C26  8  0.1650  0.2683  0.6363  1
]