data_[Sm2Al2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Al  1.6100  1.2500  0.6750
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.3419]
_cell_length_b [12.6013]
_cell_length_c [6.3138]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.1038]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SmAlCl6]
_chemical_formula_sum '[Sm2 Al2 Cl12]'
_cell_volume [484.7741]
_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  2  0.0000  0.0000  0.0000  1.0
  Al  Al1  2  0.0000  0.5000  0.5000  1.0
  Cl  Cl2  8  0.2140  0.6328  0.7171  1.0
  Cl  Cl3  4  0.2364  0.5000  0.2670  1.0
]