data_ZnSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.73
_cell_length_b   4.73
_cell_length_c   4.73
_cell_angle_alpha   137.96
_cell_angle_beta   137.96
_cell_angle_gamma   60.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnSi2
_chemical_formula_sum   'Zn1 Si2'
_cell_volume   47.01
_cell_formula_units_Z   1
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  0.0  0.0  0.0  1.0
  Si  Si0  1  0.0  0.0  0.6  1.0
  Si  Si1  1  0.0  0.0  0.56  1.0

data_ZnSi2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   4.73
_cell_angle_alpha   90.0
_cell_angle_beta   120.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZnSi2
_chemical_formula_sum   'Zn2 Si4'
_cell_volume   94.01
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  1.0
  Si  Si1  2  0.0  0.0  0.56  1.0
  Si  Si2  2  0.0  0.0  0.6  1.0

Zn Si Si
Zn Si Si 0 2 o o - 0 1 o o - 1 2 o o o 