data_Zn2SiBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.32
_cell_length_b   3.91
_cell_length_c   6.47
_cell_angle_alpha   90.0
_cell_angle_beta   103.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2SiBi
_chemical_formula_sum   'Zn2 Si1 Bi1'
_cell_volume   81.68
_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  0.16  0.96  0.24  1.0
  Zn  Zn3  1  0.64  0.96  0.05  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.24  0.0  0.15  1.0

data_Zn2SiBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.32
_cell_length_b   3.91
_cell_length_c   6.47
_cell_angle_alpha   90.0
_cell_angle_beta   103.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2SiBi
_chemical_formula_sum   'Zn2 Si1 Bi1'
_cell_volume   81.68
_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  0.16  0.96  0.24  1.0
  Zn  Zn1  1  0.64  0.96  0.05  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Bi  Bi3  1  0.24  0.0  0.15  1.0

Zn Zn Si Bi
Zn Zn Si Bi 0 3 o + o 1 2 + + o 2 3 o o o 