data_Zn2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.8
_cell_length_b   7.07
_cell_length_c   3.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2Si
_chemical_formula_sum   'Zn4 Si2'
_cell_volume   100.27
_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  0.47  0.68  0.0  1.0
  Zn  Zn3  1  0.33  0.4  0.0  1.0
  Zn  Zn4  1  0.37  0.93  0.87  1.0
  Zn  Zn5  1  0.43  0.14  0.87  1.0
  Si  Si0  1  0.0  0.0  0.0  1.0
  Si  Si1  1  0.9  0.54  0.87  1.0

data_Zn2Si
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.73
_cell_length_b   3.8
_cell_length_c   7.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2Si
_chemical_formula_sum   'Zn4 Si2'
_cell_volume   100.27
_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  -0.0  0.47  0.68  1.0
  Zn  Zn1  1  -0.0  0.33  0.4  1.0
  Zn  Zn2  1  0.87  0.37  0.93  1.0
  Zn  Zn3  1  0.87  0.43  0.14  1.0
  Si  Si4  1  0.0  0.0  0.0  1.0
  Si  Si5  1  0.87  0.9  0.54  1.0

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