data_Zn2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.07
_cell_length_b   7.07
_cell_length_c   5.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   150.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2Bi
_chemical_formula_sum   'Zn4 Bi2'
_cell_volume   134.55
_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
  Zn  Zn2  1  0.79  0.97  0.13  1.0
  Zn  Zn3  1  0.79  0.81  0.13  1.0
  Zn  Zn4  1  0.79  0.19  0.38  1.0
  Zn  Zn5  1  0.79  0.03  0.38  1.0
  Bi  Bi0  1  0.79  0.33  0.13  1.0
  Bi  Bi1  1  0.79  0.67  0.38  1.0

data_Zn2Bi
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.57
_cell_length_b   5.5
_cell_length_c   7.07
_cell_angle_alpha   90.0
_cell_angle_beta   104.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Zn2Bi
_chemical_formula_sum   'Zn4 Bi2'
_cell_volume   134.55
_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
  Zn  Zn0  2  0.03  0.38  0.03  1.0
  Zn  Zn1  2  0.19  0.38  0.19  1.0
  Bi  Bi2  2  0.33  0.62  0.33  1.0

Zn Zn Zn Zn Bi Bi
Zn Zn Zn Zn Bi Bi 0 1 o o o 1 5 o o o 2 3 o o o 2 4 o o o 