data_[Li6Fe3Sn3Cl18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Fe  1.8300  1.4000  0.8525
  Sn  1.9600  1.4500  0.8300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [6.5812]
_cell_length_b [6.5812]
_cell_length_c [18.1051]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Li2FeSnCl6]
_chemical_formula_sum '[Li6 Fe3 Sn3 Cl18]'
_cell_volume [679.1032]
_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  0.0120  1.0
  Li  Li1  3  0.0000  0.0000  0.5193  1.0
  Fe  Fe2  3  0.0000  0.0000  0.3221  1.0
  Sn  Sn3  3  0.0000  0.0000  0.8159  1.0
  Cl  Cl4  9  0.0094  0.3387  0.9200  1.0
  Cl  Cl5  9  0.0562  0.6995  0.0772  1.0
]