data_ZnSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.71
_cell_length_b   4.71
_cell_length_c   4.99
_cell_angle_alpha   99.67
_cell_angle_beta   99.67
_cell_angle_gamma   34.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnSi
_chemical_formula_sum   'Zn2 Si2'
_cell_volume   61.3
_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  0.87  0.0  0.34  1.0
  Zn  Zn3  1  0.26  0.0  0.57  1.0
  Si  Si0  1  0.36  0.0  0.02  1.0
  Si  Si1  1  0.76  0.0  0.89  1.0

data_ZnSi
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.77
_cell_length_b   4.71
_cell_length_c   4.99
_cell_angle_alpha   99.67
_cell_angle_beta   90.0
_cell_angle_gamma   107.11
_symmetry_Int_Tables_number   2
_chemical_formula_structural   ZnSi
_chemical_formula_sum   'Zn2 Si2'
_cell_volume   61.3
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.0  0.3  0.38  1.0
  Si  Si1  2  0.0  0.2  0.94  1.0

Zn Zn Si Si