data_[Cs4Sm2In2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [P2_1/c]
_cell_length_a [7.9642]
_cell_length_b [8.2813]
_cell_length_c [13.8808]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.6899]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Cs2SmInCl6]
_chemical_formula_sum '[Cs4 Sm2 In2 Cl12]'
_cell_volume [752.7568]
_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
[
  Cs  Cs0  4  0.2673  0.0579  0.2503  1
  Sm  Sm1  2  0.0000  0.0000  0.5000  1
  In  In2  2  0.5000  0.0000  0.0000  1
  Cl  Cl3  4  0.1481  0.0239  0.7306  1
  Cl  Cl4  4  0.2271  0.7287  0.5448  1
  Cl  Cl5  4  0.3156  0.1855  0.5398  1
]