data_SnBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.08
_cell_length_b   6.08
_cell_length_c   5.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   58.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnBi2
_chemical_formula_sum   'Sn2 Bi4'
_cell_volume   182.29
_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  Sn4  1  0.31  0.69  0.45  1.0
  Sn  Sn5  1  0.31  0.31  0.34  1.0
  Bi  Bi0  1  0.02  0.71  0.45  1.0
  Bi  Bi1  1  0.61  0.29  0.34  1.0
  Bi  Bi2  1  0.61  0.71  0.45  1.0
  Bi  Bi3  1  0.02  0.29  0.34  1.0

data_SnBi2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.79
_cell_length_b   5.92
_cell_length_c   6.08
_cell_angle_alpha   119.12
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   SnBi2
_chemical_formula_sum   'Sn2 Bi4'
_cell_volume   182.29
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.45  0.31  0.81  1.0
  Bi  Bi1  2  0.45  0.29  0.08  1.0
  Bi  Bi2  2  0.45  0.29  0.49  1.0

Sn Sn Bi Bi Bi Bi