data_[Sn4Bi8]
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 [C2/m]
_cell_length_a [13.6598]
_cell_length_b [4.5832]
_cell_length_c [6.1422]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.5634]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SnBi2]
_chemical_formula_sum '[Sn4 Bi8]'
_cell_volume [382.7246]
_cell_formula_units_Z [4]
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  0.2040  0.0000  0.7830  1
  Bi  Bi1  4  0.0375  0.5000  0.7540  1
  Bi  Bi2  4  0.1354  0.0000  0.2718  1
]