data_[Sn7Bi9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P6mm]
_cell_length_a [8.8705]
_cell_length_b [8.8705]
_cell_length_c [20.7925]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [183]
_chemical_formula_structural [Sn7Bi9]
_chemical_formula_sum '[Sn7 Bi9]'
_cell_volume [1416.8850]
_cell_formula_units_Z [1]
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  0.2023  0.4046  0.6106  1
  Sn  Sn1  1  0.0000  0.0000  0.5584  1
  Bi  Bi2  6  0.2101  0.4203  0.4507  1
  Bi  Bi3  2  0.3333  0.6667  0.3321  1
  Bi  Bi4  1  0.0000  0.0000  0.4094  1
]