data_SiSn2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.19
_cell_length_b   6.19
_cell_length_c   3.28
_cell_angle_alpha   100.0
_cell_angle_beta   100.0
_cell_angle_gamma   117.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiSn2Bi
_chemical_formula_sum   'Si1 Sn2 Bi1'
_cell_volume   104.86
_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
  Si  Si1  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.05  0.65  0.55  1.0
  Sn  Sn3  1  0.05  0.35  0.55  1.0
  Bi  Bi0  1  0.2  0.0  0.0  1.0

data_SiSn2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.28
_cell_length_b   6.13
_cell_length_c   6.19
_cell_angle_alpha   116.47
_cell_angle_beta   100.0
_cell_angle_gamma   100.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiSn2Bi
_chemical_formula_sum   'Si1 Sn2 Bi1'
_cell_volume   104.86
_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
  Si  Si0  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.2  0.65  0.7  1.0
  Sn  Sn2  1  0.89  0.35  0.39  1.0
  Bi  Bi3  1  0.0  0.0  0.2  1.0

Si Sn Sn Bi