data_[Sm4Fe4Cl4O8]
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
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.3733]
_cell_length_b [3.9175]
_cell_length_c [8.7444]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6050]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SmFeClO2]
_chemical_formula_sum '[Sm4 Fe4 Cl4 O8]'
_cell_volume [343.8668]
_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  0.0997  0.5000  0.2804  1
  Fe  Fe1  4  0.1453  0.0000  0.0019  1
  Cl  Cl2  4  0.1673  0.5000  0.6188  1
  O  O3  4  0.0173  0.0000  0.1894  1
  O  O4  4  0.1731  0.5000  0.0619  1
]