data_[Y4B4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  B  2.0400  0.8500  0.4100
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.4524]
_cell_length_b [6.5987]
_cell_length_c [3.5549]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.7110]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [YBO3]
_chemical_formula_sum '[Y4 B4 O12]'
_cell_volume [198.1820]
_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
[
  Y  Y0  4  0.2077  0.0000  0.2000  1
  B  B1  4  0.0000  0.3349  0.5000  1
  O  O2  8  0.1132  0.2116  0.7116  1
  O  O3  4  0.0965  0.5000  0.3022  1
]