data_[K4Li4Sm4Cl20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Li  0.9800  1.4500  0.9000
  Sm  1.1700  1.8500  1.2290
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.9001]
_cell_length_b [12.1261]
_cell_length_c [10.1473]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.6183]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KLiSmCl5]
_chemical_formula_sum '[K4 Li4 Sm4 Cl20]'
_cell_volume [1003.3868]
_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
[
  K  K0  4  0.0000  0.3490  0.2500  1.0
  Li  Li1  4  0.0000  0.3104  0.7500  1.0
  Sm  Sm2  4  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  8  0.1138  0.1992  0.6177  1.0
  Cl  Cl4  8  0.1856  0.4358  0.9246  1.0
  Cl  Cl5  4  0.0000  0.0855  0.2500  1.0
]