data_Zn2SnBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29
_cell_length_b   5.29
_cell_length_c   5.29
_cell_angle_alpha   125.79
_cell_angle_beta   125.79
_cell_angle_gamma   80.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2SnBi
_chemical_formula_sum   'Zn2 Sn1 Bi1'
_cell_volume   93.88
_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  0.41  0.0  0.02  1.0
  Zn  Zn3  1  0.0  0.41  0.02  1.0
  Sn  Sn1  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.0  0.0  0.04  1.0

data_Zn2SnBi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.81
_cell_length_b   6.81
_cell_length_c   5.29
_cell_angle_alpha   90.0
_cell_angle_beta   130.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Zn2SnBi
_chemical_formula_sum   'Zn4 Sn2 Bi2'
_cell_volume   187.76
_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  4  0.18  0.2  0.39  1.0
  Sn  Sn1  2  0.0  0.0  0.0  1.0
  Bi  Bi2  2  0.46  0.5  0.96  1.0

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