data_Zn2SnBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.38
_cell_length_b   5.38
_cell_length_c   3.44
_cell_angle_alpha   98.46
_cell_angle_beta   98.46
_cell_angle_gamma   98.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2SnBi
_chemical_formula_sum   'Zn2 Sn1 Bi1'
_cell_volume   95.96
_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  Zn2  1  0.37  0.96  0.68  1.0
  Zn  Zn3  1  0.37  0.04  0.68  1.0
  Sn  Sn1  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.51  0.0  0.0  1.0

data_Zn2SnBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.44
_cell_length_b   5.38
_cell_length_c   5.38
_cell_angle_alpha   98.52
_cell_angle_beta   98.46
_cell_angle_gamma   98.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2SnBi
_chemical_formula_sum   'Zn2 Sn1 Bi1'
_cell_volume   95.96
_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  Zn0  1  0.68  0.37  0.96  1.0
  Zn  Zn1  1  0.68  0.37  0.04  1.0
  Sn  Sn2  1  0.0  0.0  0.0  1.0
  Bi  Bi3  1  0.0  0.51  0.0  1.0

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