data_[Tb12Bi6C4]
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 [I4/mmm]
_cell_length_a [4.8114]
_cell_length_b [4.8114]
_cell_length_c [25.7425]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Tb6Bi3C2]
_chemical_formula_sum '[Tb12 Bi6 C4]'
_cell_volume [595.9316]
_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  8  0.0000  0.5000  0.0850  1
  Tb  Tb1  4  0.0000  0.0000  0.3092  1
  Bi  Bi2  4  0.0000  0.0000  0.1808  1
  Bi  Bi3  2  0.0000  0.0000  0.0000  1
  C  C4  4  0.0000  0.0000  0.3976  1
]