data_[Sm8Fe4C8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  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 [11.0875]
_cell_length_b [5.1969]
_cell_length_c [6.8023]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.4053]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm2FeC2]
_chemical_formula_sum '[Sm8 Fe4 C8]'
_cell_volume [330.9183]
_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
[
  Sm  Sm0  4  0.0442  0.0000  0.7882  1.0
  Sm  Sm1  4  0.1845  0.5000  0.6145  1.0
  Fe  Fe2  4  0.1284  0.5000  0.1314  1.0
  C  C3  4  0.0141  0.5000  0.8042  1.0
  C  C4  4  0.1855  0.0000  0.6106  1.0
]