data_[Sm4C1Cl2O1]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.3349]
_cell_length_b [3.7018]
_cell_length_c [7.2571]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2238]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Sm4CCl2O]
_chemical_formula_sum '[Sm4 C1 Cl2 O1]'
_cell_volume [162.5510]
_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  0.2310  0.5000  0.1877  1
  Sm  Sm1  2  0.2691  0.0000  0.8101  1
  C  C2  1  0.5000  0.5000  0.0000  1
  Cl  Cl3  1  0.0000  0.5000  0.5000  1
  Cl  Cl4  1  0.5000  0.0000  0.5000  1
  O  O5  1  0.0000  0.0000  0.0000  1
]