data_[Ho16B48O96]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  B  2.0400  0.8500  0.4100
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [16.0051]
_cell_length_b [7.4225]
_cell_length_c [12.2982]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Ho(BO2)3]
_chemical_formula_sum '[Ho16 B48 O96]'
_cell_volume [1460.9940]
_cell_formula_units_Z [16]
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  0.0486  0.2500  0.5869  1
  Ho  Ho1  4  0.1192  0.7500  0.0097  1
  Ho  Ho2  4  0.1291  0.7500  0.7346  1
  Ho  Ho3  4  0.1733  0.2500  0.9359  1
  B  B4  8  0.0328  0.0600  0.8232  1
  B  B5  8  0.0561  0.0725  0.3453  1
  B  B6  8  0.1093  0.0764  0.1426  1
  B  B7  8  0.1523  0.5778  0.4824  1
  B  B8  8  0.2169  0.0700  0.3131  1
  B  B9  8  0.2423  0.0690  0.6272  1
  O  O10  8  0.0227  0.5200  0.7092  1
  O  O11  8  0.0476  0.5648  0.1220  1
  O  O12  8  0.0691  0.5594  0.4315  1
  O  O13  8  0.0966  0.5446  0.8776  1
  O  O14  8  0.1283  0.0731  0.2647  1
  O  O15  8  0.1642  0.0657  0.5637  1
  O  O16  8  0.1847  0.0336  0.0763  1
  O  O17  8  0.2178  0.5651  0.3983  1
  O  O18  8  0.2238  0.5202  0.7291  1
  O  O19  4  0.0477  0.2500  0.3976  1
  O  O20  4  0.0672  0.2500  0.8069  1
  O  O21  4  0.0783  0.2500  0.1046  1
  O  O22  4  0.1588  0.7500  0.5409  1
  O  O23  4  0.2240  0.7500  0.1364  1
  O  O24  4  0.2447  0.2500  0.3541  1
]