data_[Sm4Co4C8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Co  1.8800  1.3500  0.7683
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [5.2946]
_cell_length_b [5.2982]
_cell_length_c [7.3559]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.3942]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [SmCoC2]
_chemical_formula_sum '[Sm4 Co4 C8]'
_cell_volume [202.2766]
_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  0.4422  0.0711  0.8066  1.0
  Co  Co1  4  0.4995  0.4305  0.5004  1.0
  C  C2  4  0.2701  0.3179  0.0800  1.0
  C  C3  4  0.4241  0.4248  0.2339  1.0
]