data_Zn2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.01
_cell_length_b   9.01
_cell_length_c   9.01
_cell_angle_alpha   158.29
_cell_angle_beta   158.29
_cell_angle_gamma   30.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2Si
_chemical_formula_sum   'Zn4 Si2'
_cell_volume   99.89
_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  0.7  0.0  0.6  1.0
  Zn  Zn3  1  0.0  0.0  0.42  1.0
  Zn  Zn4  1  0.7  0.0  0.08  1.0
  Zn  Zn5  1  0.0  0.0  0.94  1.0
  Si  Si0  1  0.0  0.7  0.34  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0

data_Zn2Si
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.39
_cell_length_b   3.39
_cell_length_c   9.01
_cell_angle_alpha   100.86
_cell_angle_beta   100.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2Si
_chemical_formula_sum   'Zn4 Si2'
_cell_volume   99.89
_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  Zn0  1  0.06  0.0  0.06  1.0
  Zn  Zn1  1  0.4  0.0  0.1  1.0
  Zn  Zn2  1  0.58  0.0  0.58  1.0
  Zn  Zn3  1  0.92  0.0  0.61  1.0
  Si  Si4  1  0.0  0.0  0.0  1.0
  Si  Si5  1  0.36  0.7  0.36  1.0

Zn Zn Zn Zn Si Si
Zn Zn Zn Zn Si Si 0 3 + o o 1 2 - o o 1 4 o - o 3 5 o o + 