data_[Tb16Bi4C8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Bi  2.0200  1.6000  1.0350
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.8339]
_cell_length_b [12.5349]
_cell_length_c [13.0884]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Tb4BiC2]
_chemical_formula_sum '[Tb16 Bi4 C8]'
_cell_volume [628.9883]
_cell_formula_units_Z [4]
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  0.0000  0.2407  0.6009  1.0
  Tb  Tb1  4  0.0000  0.0867  0.2500  1.0
  Tb  Tb2  4  0.0000  0.5000  0.0000  1.0
  Bi  Bi3  4  0.0000  0.3910  0.2500  1.0
  C  C4  8  0.0000  0.1373  0.0580  1.0
]