data_[Tb4Ta4C8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ta  1.5000  1.4500  0.8200
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.7630]
_cell_length_b [3.5190]
_cell_length_c [11.1049]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [TbTaC2]
_chemical_formula_sum '[Tb4 Ta4 C8]'
_cell_volume [225.2075]
_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  4  0.0845  0.7500  0.1401  1.0
  Ta  Ta1  4  0.0929  0.2500  0.3934  1.0
  C  C2  4  0.1505  0.7500  0.7519  1.0
  C  C3  4  0.2201  0.7500  0.4826  1.0
]