data_[Li4Sn4Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sn  1.9600  1.4500  0.8300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.3750]
_cell_length_b [17.3095]
_cell_length_c [7.0477]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiSnCl3]
_chemical_formula_sum '[Li4 Sn4 Cl12]'
_cell_volume [533.7107]
_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
[
  Li  Li0  4  0.0000  0.3355  0.4757  1.0
  Sn  Sn1  4  0.0000  0.0678  0.4583  1.0
  Cl  Cl2  4  0.0000  0.1233  0.8281  1.0
  Cl  Cl3  4  0.0000  0.2062  0.3333  1.0
  Cl  Cl4  4  0.0000  0.4508  0.6988  1.0
]