data_[Mg3Tl6Ge3Cl18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Tl  1.6200  1.9000  1.3325
  Ge  2.0100  1.2500  0.7700
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [7.3171]
_cell_length_b [7.3171]
_cell_length_c [17.5777]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [MgTl2GeCl6]
_chemical_formula_sum '[Mg3 Tl6 Ge3 Cl18]'
_cell_volume [815.0141]
_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
[
  Mg  Mg0  3  -0.0000  0.0000  0.0000  1
  Tl  Tl1  6  0.0000  0.0000  0.2459  1
  Ge  Ge2  3  -0.0000  0.0000  0.5000  1
  Cl  Cl3  18  0.0125  0.5630  0.7489  1
]