data_[Tb2B6C2]
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 [Cm]
_cell_length_a [4.2632]
_cell_length_b [4.2397]
_cell_length_c [5.5123]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.1084]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [TbB3C]
_chemical_formula_sum '[Tb2 B6 C2]'
_cell_volume [93.5599]
_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  0.0883  0.5000  0.1960  1
  B  B1  4  0.1107  0.2730  0.7002  1
  B  B2  2  0.4583  0.5000  0.8847  1
  C  C3  2  0.2350  0.0000  0.5250  1
]