data_[Tb4Ru4C8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ru  2.2000  1.3000  0.6610
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [5.3126]
_cell_length_b [5.3289]
_cell_length_c [7.9289]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.8629]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [TbRuC2]
_chemical_formula_sum '[Tb4 Ru4 C8]'
_cell_volume [221.1507]
_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  0.4928  0.4302  0.4872  1.0
  Ru  Ru1  4  0.0582  0.4264  0.6917  1.0
  C  C2  4  0.3330  0.1842  0.7864  1.0
  C  C3  4  0.4824  0.0791  0.9317  1.0
]