data_[K2Li2Sm4Cl16]
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 [Cmmm]
_cell_length_a [8.9430]
_cell_length_b [9.9836]
_cell_length_c [8.4448]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [KLiSm2Cl8]
_chemical_formula_sum '[K2 Li2 Sm4 Cl16]'
_cell_volume [753.9835]
_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
[
  K  K0  2  0.0000  0.0000  0.5000  1.0
  Li  Li1  2  0.0000  0.0000  0.0000  1.0
  Sm  Sm2  4  0.0000  0.5000  0.2414  1.0
  Cl  Cl3  8  0.2026  0.0000  0.2143  1.0
  Cl  Cl4  4  0.0000  0.3166  0.0000  1.0
  Cl  Cl5  4  0.0000  0.3269  0.5000  1.0
]