data_[Tb4Mo4C8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Mo  2.1600  1.4500  0.7750
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.7184]
_cell_length_b [3.4160]
_cell_length_c [10.8156]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [TbMoC2]
_chemical_formula_sum '[Tb4 Mo4 C8]'
_cell_volume [211.2716]
_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  0.0855  0.2500  0.8626  1.0
  Mo  Mo1  4  0.0965  0.7500  0.6093  1.0
  C  C2  4  0.1594  0.2500  0.2471  1.0
  C  C3  4  0.2211  0.2500  0.5167  1.0
]