data_[Li6Sm3In3I18]
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
  In  1.7800  1.5500  0.9400
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.8786]
_cell_length_b [7.8786]
_cell_length_c [21.6207]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Li2SmInI6]
_chemical_formula_sum '[Li6 Sm3 In3 I18]'
_cell_volume [1162.2350]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0046  1.0
  Li  Li1  3  0.0000  0.0000  0.5088  1.0
  Sm  Sm2  3  0.0000  0.0000  0.3234  1.0
  In  In3  3  0.0000  0.0000  0.8113  1.0
  I  I4  9  0.0012  0.3462  0.2545  1.0
  I  I5  9  0.0669  0.7275  0.0831  1.0
]