data_[Sm8Cl12O2]
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 [P6_3mc]
_cell_length_a [9.1245]
_cell_length_b [9.1245]
_cell_length_c [7.3874]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [186]
_chemical_formula_structural [Sm4Cl6O]
_chemical_formula_sum '[Sm8 Cl12 O2]'
_cell_volume [532.6443]
_cell_formula_units_Z [2]
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  6  0.1918  0.3836  0.0255  1
  Sm  Sm1  2  0.3333  0.6667  0.3570  1
  Cl  Cl2  6  0.0196  0.5098  0.7232  1
  Cl  Cl3  6  0.1359  0.2718  0.4068  1
  O  O4  2  0.3333  0.6667  0.0327  1
]