data_[Li6Cd3Ge3Br18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Cd  1.6900  1.5500  1.0900
  Ge  2.0100  1.2500  0.7700
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [6.9736]
_cell_length_b [6.9736]
_cell_length_c [19.1953]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Li2CdGeBr6]
_chemical_formula_sum '[Li6 Cd3 Ge3 Br18]'
_cell_volume [808.4169]
_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  0.0108  1.0
  Li  Li1  3  0.0000  0.0000  0.5090  1.0
  Cd  Cd2  3  0.0000  0.0000  0.3189  1.0
  Ge  Ge3  3  0.0000  0.0000  0.8212  1.0
  Br  Br4  9  0.0233  0.3464  0.5841  1.0
  Br  Br5  9  0.0253  0.6770  0.0834  1.0
]