data_[Tb2Si2B2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Si  1.9000  1.1000  0.5400
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.5385]
_cell_length_b [4.8765]
_cell_length_c [5.9599]
_cell_angle_alpha [101.3762]
_cell_angle_beta [91.8503]
_cell_angle_gamma [93.7848]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TbSiB]
_chemical_formula_sum '[Tb2 Si2 B2]'
_cell_volume [100.4911]
_cell_formula_units_Z [2]
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  2  0.2448  0.3172  0.2452  1
  Si  Si1  2  0.2069  0.1887  0.7346  1
  B  B2  2  0.3194  0.8566  0.4685  1
]