data_ZnSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.49
_cell_length_b   4.49
_cell_length_c   5.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnSi2
_chemical_formula_sum   'Zn2 Si4'
_cell_volume   93.63
_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  0.59  0.03  1.0
  Zn  Zn5  1  0.24  0.3  0.34  1.0
  Si  Si0  1  0.0  0.0  0.68  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Si  Si2  1  0.24  0.3  0.03  1.0
  Si  Si3  1  0.0  0.59  0.34  1.0

data_ZnSi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.49
_cell_length_b   4.49
_cell_length_c   5.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnSi2
_chemical_formula_sum   'Zn2 Si4'
_cell_volume   93.63
_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  0.59  0.03  1.0
  Zn  Zn1  1  0.24  0.3  0.34  1.0
  Si  Si2  1  -0.0  0.59  0.34  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  Si  Si4  1  0.0  0.0  0.68  1.0
  Si  Si5  1  0.24  0.3  0.03  1.0

Zn Zn Si Si Si Si