data_[Sm12C4Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  C  2.5500  0.7000  0.3000
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.0898]
_cell_length_b [5.7615]
_cell_length_c [7.7888]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2957]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sm3CSe2]
_chemical_formula_sum '[Sm12 C4 Se8]'
_cell_volume [560.8434]
_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  8  0.1360  0.0004  0.5682  1.0
  Sm  Sm1  4  0.0000  0.4777  0.2500  1.0
  Se  Se2  8  0.1751  0.4998  0.0877  1.0
  C  C3  4  0.0000  0.0238  0.2500  1.0
]