data_[Tb4B5C2]
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 [P2/m]
_cell_length_a [6.6073]
_cell_length_b [3.6353]
_cell_length_c [6.6446]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.6265]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Tb4B5C2]
_chemical_formula_sum '[Tb4 B5 C2]'
_cell_volume [159.0800]
_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  2  0.2252  0.5000  0.8941  1
  Tb  Tb1  2  0.2376  0.5000  0.4241  1
  B  B2  2  0.0994  0.0000  0.1929  1
  B  B3  2  0.3496  0.0000  0.1694  1
  B  B4  1  0.5000  0.0000  0.0000  1
  C  C5  2  0.0351  0.0000  0.6160  1
]