data_[Li6Ge3Pb3Br18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ge  2.0100  1.2500  0.7700
  Pb  2.3300  1.8000  1.1225
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.2332]
_cell_length_b [7.2332]
_cell_length_c [19.6722]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Li2GePbBr6]
_chemical_formula_sum '[Li6 Ge3 Pb3 Br18]'
_cell_volume [891.3361]
_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  0.0036  1.0
  Li  Li1  3  0.0000  0.0000  0.5226  1.0
  Ge  Ge2  3  0.0000  0.0000  0.3317  1.0
  Pb  Pb3  3  0.0000  0.0000  0.8193  1.0
  Br  Br4  9  0.0371  0.3411  0.5838  1.0
  Br  Br5  9  0.0644  0.7173  0.0796  1.0
]