data_[Sm2In2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  In  1.7800  1.5500  0.9400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.5699]
_cell_length_b [12.4841]
_cell_length_c [6.5558]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6130]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SmInCl6]
_chemical_formula_sum '[Sm2 In2 Cl12]'
_cell_volume [515.2613]
_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
  In  In1  2  0.0000  0.5000  0.5000  1
  Cl  Cl2  8  0.2314  0.3577  0.7346  1
  Cl  Cl3  4  0.2475  0.5000  0.2570  1
]