data_[K4Sm4Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Cmc2_1]
_cell_length_a [5.4268]
_cell_length_b [20.8807]
_cell_length_c [7.4237]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [KSmCl4]
_chemical_formula_sum '[K4 Sm4 Cl16]'
_cell_volume [841.2201]
_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  0.1879  0.3309  1.0
  Sm  Sm1  4  0.0000  0.4098  0.2761  1.0
  Cl  Cl2  4  0.0000  0.0894  0.7492  1.0
  Cl  Cl3  4  0.0000  0.3055  0.0655  1.0
  Cl  Cl4  4  0.0000  0.3360  0.5646  1.0
  Cl  Cl5  4  0.0000  0.4752  0.9472  1.0
]