data_[Ho4B4O12]
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 [P-1]
_cell_length_a [6.1639]
_cell_length_b [6.3694]
_cell_length_c [6.3901]
_cell_angle_alpha [92.5451]
_cell_angle_beta [107.3819]
_cell_angle_gamma [107.1177]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [HoBO3]
_chemical_formula_sum '[Ho4 B4 O12]'
_cell_volume [226.3958]
_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  2  0.0451  0.2687  0.3329  1.0
  Ho  Ho1  2  0.4439  0.8196  0.2237  1.0
  B  B2  2  0.0192  0.2379  0.7823  1.0
  B  B3  2  0.4783  0.2793  0.2637  1.0
  O  O4  2  0.0460  0.7762  0.0310  1.0
  O  O5  2  0.0883  0.6439  0.3733  1.0
  O  O6  2  0.1544  0.1241  0.7183  1.0
  O  O7  2  0.3683  0.1291  0.3860  1.0
  O  O8  2  0.3858  0.7950  0.8424  1.0
  O  O9  2  0.4261  0.4718  0.2507  1.0
]