data_[Tm4Fe8Si4C4]
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
  Si  1.9000  1.1000  0.5400
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.6982]
_cell_length_b [10.3970]
_cell_length_c [6.6982]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [TmFe2SiC]
_chemical_formula_sum '[Tm4 Fe8 Si4 C4]'
_cell_volume [257.5466]
_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  0.0000  0.4506  0.7500  1.0
  Fe  Fe1  8  0.0000  0.1651  0.5621  1.0
  Si  Si2  4  0.0000  0.2693  0.2500  1.0
  C  C3  4  0.0000  0.0000  0.0000  1.0
]