data_[Tm4Fe4C8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Fe  1.8300  1.4000  0.8525
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [5.1197]
_cell_length_b [5.1212]
_cell_length_c [7.3140]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0119]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [TmFeC2]
_chemical_formula_sum '[Tm4 Fe4 C8]'
_cell_volume [188.8476]
_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
[
  Tm  Tm0  4  0.0020  0.0664  0.9950  1.0
  Fe  Fe1  4  0.0555  0.4339  0.6942  1.0
  C  C2  4  0.3254  0.1876  0.7752  1.0
  C  C3  4  0.4836  0.0718  0.9325  1.0
]