data_ZnSn2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.87
_cell_length_b   3.87
_cell_length_c   6.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnSn2Bi
_chemical_formula_sum   'Zn1 Sn2 Bi1'
_cell_volume   104.34
_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
  Zn  Zn3  1  0.0  0.0  0.41  1.0
  Sn  Sn1  1  0.0  0.0  0.14  1.0
  Sn  Sn2  1  0.93  0.93  0.87  1.0
  Bi  Bi0  1  0.93  0.93  0.05  1.0

data_ZnSn2Bi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.47
_cell_length_b   5.47
_cell_length_c   6.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZnSn2Bi
_chemical_formula_sum   'Zn2 Sn4 Bi2'
_cell_volume   208.69
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Zn  Zn0  2  0.0  0.0  0.41  1.0
  Sn  Sn1  2  0.0  0.0  0.14  1.0
  Sn  Sn2  2  0.43  0.5  0.87  1.0
  Bi  Bi3  2  0.43  0.5  0.05  1.0

Zn Sn Sn Bi
Zn Sn Sn Bi 0 1 o o o 1 3 - - o 2 3 o o + 