data_[Cs4K2Sm2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  K  0.8200  2.2000  1.5200
  Sm  1.1700  1.8500  1.2290
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.9689]
_cell_length_b [8.1968]
_cell_length_c [13.8784]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.9515]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Cs2KSmCl6]
_chemical_formula_sum '[Cs4 K2 Sm2 Cl12]'
_cell_volume [743.0242]
_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  0.2648  0.0512  0.2507  1.0
  K  K1  2  0.5000  0.0000  0.0000  1.0
  Sm  Sm2  2  0.0000  0.0000  0.5000  1.0
  Cl  Cl3  4  0.1560  0.0216  0.7321  1.0
  Cl  Cl4  4  0.2307  0.7294  0.5421  1.0
  Cl  Cl5  4  0.3105  0.1913  0.5374  1.0
]