data_[Sm4Cl12O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [16.4310]
_cell_length_b [8.7705]
_cell_length_c [4.7898]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Sm(ClO)3]
_chemical_formula_sum '[Sm4 Cl12 O12]'
_cell_volume [690.2448]
_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  0.0220  0.7500  0.5607  1
  Cl  Cl1  8  0.0799  0.0381  0.7277  1
  Cl  Cl2  4  0.1678  0.7500  0.3427  1
  O  O3  8  0.1781  0.1794  0.2518  1
  O  O4  4  0.0147  0.7500  0.0739  1
]