data_[Sm8Cl12]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.7909]
_cell_length_b [3.9835]
_cell_length_c [10.5190]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.7542]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm2Cl3]
_chemical_formula_sum '[Sm8 Cl12]'
_cell_volume [580.0857]
_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  0.0887  0.5000  0.9492  1.0
  Sm  Sm1  4  0.1400  0.0000  0.2928  1.0
  Cl  Cl2  4  0.0440  0.0000  0.7382  1.0
  Cl  Cl3  4  0.1593  0.5000  0.5062  1.0
  Cl  Cl4  4  0.2272  0.0000  0.1179  1.0
]