data_[Tb2B3C1]
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 [Pmm2]
_cell_length_a [3.1696]
_cell_length_b [3.9697]
_cell_length_c [5.4891]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Tb2B3C]
_chemical_formula_sum '[Tb2 B3 C1]'
_cell_volume [69.0648]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5040  1.0
  Tb  Tb1  1  0.5000  0.0000  0.9953  1.0
  B  B2  1  0.0000  0.5000  0.1714  1.0
  B  B3  1  0.0000  0.5000  0.8289  1.0
  B  B4  1  0.5000  0.5000  0.3402  1.0
  C  C5  1  0.5000  0.5000  0.6602  1.0
]