data_[Sn6Bi4]
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 [Pccm]
_cell_length_a [8.5400]
_cell_length_b [18.7778]
_cell_length_c [6.1445]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [49]
_chemical_formula_structural [Sn3Bi2]
_chemical_formula_sum '[Sn6 Bi4]'
_cell_volume [985.3483]
_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  4  0.2766  0.1006  0.5000  1
  Sn  Sn1  2  0.0000  0.0000  0.0000  1
  Bi  Bi2  4  0.3496  0.0632  0.0000  1
]