data_[Sn6Ge8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P6mm]
_cell_length_a [8.2037]
_cell_length_b [8.2037]
_cell_length_c [19.0098]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [183]
_chemical_formula_structural [Sn3Ge4]
_chemical_formula_sum '[Sn6 Ge8]'
_cell_volume [1107.9661]
_cell_formula_units_Z [2]
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
[
  Sn  Sn0  6  0.2057  0.7943  0.4083  1
  Ge  Ge1  6  0.1786  0.3572  0.5520  1
  Ge  Ge2  2  0.3333  0.6667  0.6192  1
]