data_[Sm4C2Cl3]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.7870]
_cell_length_b [3.7870]
_cell_length_c [17.1352]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Sm4C2Cl3]
_chemical_formula_sum '[Sm4 C2 Cl3]'
_cell_volume [212.8220]
_cell_formula_units_Z [1]
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  2  0.0000  0.0000  0.2860  1
  Sm  Sm1  2  0.3333  0.6667  0.8739  1
  C  C2  2  0.3333  0.6667  0.1997  1
  Cl  Cl3  2  0.3333  0.6667  0.6101  1
  Cl  Cl4  1  0.0000  0.0000  0.0000  1
]