data_[Tb8B16C8]
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
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P4_2/mbc]
_cell_length_a [6.8030]
_cell_length_b [6.8030]
_cell_length_c [7.5346]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [135]
_chemical_formula_structural [TbB2C]
_chemical_formula_sum '[Tb8 B16 C8]'
_cell_volume [348.7102]
_cell_formula_units_Z [8]
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  8  0.1900  0.6900  0.2500  1
  B  B1  8  0.0348  0.1514  0.5000  1
  B  B2  8  0.0952  0.4029  0.5000  1
  C  C3  8  0.0408  0.1772  0.0000  1
]