data_[Tm4Fe4C4]
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 [C2/m]
_cell_length_a [9.3715]
_cell_length_b [3.2361]
_cell_length_c [6.0876]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.1250]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TmFeC]
_chemical_formula_sum '[Tm4 Fe4 C4]'
_cell_volume [156.3520]
_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  0.0701  0.0000  0.3330  1
  Fe  Fe1  4  0.1975  0.5000  0.0888  1
  C  C2  4  0.1863  0.5000  0.7420  1
]