data_ZnSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.64
_cell_length_b   6.24
_cell_length_c   4.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnSi2
_chemical_formula_sum   'Zn2 Si4'
_cell_volume   104.22
_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  Zn4  1  0.0  0.0  0.0  1.0
  Zn  Zn5  1  0.82  0.12  0.29  1.0
  Si  Si0  1  0.76  0.33  0.0  1.0
  Si  Si1  1  0.88  0.91  0.0  1.0
  Si  Si2  1  0.94  0.79  0.29  1.0
  Si  Si3  1  0.7  0.45  0.29  1.0

data_ZnSi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.64
_cell_length_b   4.59
_cell_length_c   6.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnSi2
_chemical_formula_sum   'Zn2 Si4'
_cell_volume   104.22
_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  0.0  0.0  1.0
  Zn  Zn1  1  0.18  0.71  0.88  1.0
  Si  Si2  1  0.06  0.71  0.21  1.0
  Si  Si3  1  0.12  0.0  0.09  1.0
  Si  Si4  1  0.24  0.0  0.67  1.0
  Si  Si5  1  0.3  0.71  0.55  1.0

Zn Zn Si Si Si Si