data_[Tb4B4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  B  2.0400  0.8500  0.4100
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [4.9475]
_cell_length_b [8.4563]
_cell_length_c [4.9901]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.9656]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [TbBO3]
_chemical_formula_sum '[Tb4 B4 O12]'
_cell_volume [207.2346]
_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
[
  Tb  Tb0  4  0.4833  0.1754  0.6640  1
  B  B1  4  0.4857  0.4726  0.0397  1
  O  O2  4  0.1772  0.0146  0.3156  1
  O  O3  4  0.2650  0.4206  0.5177  1
  O  O4  4  0.4153  0.3066  0.0528  1
]