data_[Li6Sn3Ge3I18]
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
  Ge  2.0100  1.2500  0.7700
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.7001]
_cell_length_b [7.7001]
_cell_length_c [21.2498]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Li2SnGeI6]
_chemical_formula_sum '[Li6 Sn3 Ge3 I18]'
_cell_volume [1091.1482]
_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  0.0033  1.0
  Li  Li1  3  0.0000  0.0000  0.5118  1.0
  Sn  Sn2  3  0.0000  0.0000  0.8277  1.0
  Ge  Ge3  3  0.0000  0.0000  0.3337  1.0
  I  I4  9  0.0229  0.3407  0.5829  1.0
  I  I5  9  0.0452  0.6989  0.0797  1.0
]