data_[Li2Sm2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [P2_1/c]
_cell_length_a [7.6358]
_cell_length_b [6.3383]
_cell_length_c [7.6405]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.4367]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [LiSmCl4]
_chemical_formula_sum '[Li2 Sm2 Cl8]'
_cell_volume [325.1656]
_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
[
  Li  Li0  2  0.0000  0.0000  0.0000  1.0
  Sm  Sm1  2  0.5000  0.0000  0.5000  1.0
  Cl  Cl2  4  0.1619  0.2175  0.3181  1.0
  Cl  Cl3  4  0.3266  0.7298  0.6551  1.0
]