data_[Tb4Mn4C8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Mn  1.5500  1.4000  0.6483
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [5.2690]
_cell_length_b [5.2725]
_cell_length_c [7.4800]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0578]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [TbMnC2]
_chemical_formula_sum '[Tb4 Mn4 C8]'
_cell_volume [204.6058]
_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  0.4947  0.4351  0.5065  1.0
  Mn  Mn1  4  0.4454  0.0648  0.8061  1.0
  C  C2  4  0.0202  0.4224  0.5672  1.0
  C  C3  4  0.1733  0.3099  0.7233  1.0
]