data_ZnSi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.5
_cell_length_b   5.5
_cell_length_c   9.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnSi3
_chemical_formula_sum   'Zn4 Si12'
_cell_volume   242.03
_cell_formula_units_Z   4
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  Zn12  1  0.0  0.0  0.63  1.0
  Zn  Zn13  1  0.0  0.0  0.0  1.0
  Zn  Zn14  1  0.75  0.59  0.94  1.0
  Zn  Zn15  1  0.0  0.17  0.31  1.0
  Si  Si0  1  0.63  0.38  0.63  1.0
  Si  Si1  1  0.63  0.38  0.0  1.0
  Si  Si2  1  0.37  0.38  0.63  1.0
  Si  Si3  1  0.75  0.0  0.63  1.0
  Si  Si4  1  0.75  0.0  0.0  1.0
  Si  Si5  1  0.37  0.38  0.0  1.0
  Si  Si6  1  0.34  0.94  0.94  1.0
  Si  Si7  1  0.41  0.82  0.31  1.0
  Si  Si8  1  0.66  0.94  0.94  1.0
  Si  Si9  1  0.0  0.63  0.94  1.0
  Si  Si10  1  0.75  0.13  0.31  1.0
  Si  Si11  1  0.08  0.82  0.31  1.0

data_ZnSi3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.5
_cell_length_b   5.5
_cell_length_c   9.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnSi3
_chemical_formula_sum   'Zn4 Si12'
_cell_volume   242.03
_cell_formula_units_Z   4
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  0.0  0.0  0.63  1.0
  Zn  Zn2  1  0.0  0.17  0.31  1.0
  Zn  Zn3  1  0.75  0.59  0.94  1.0
  Si  Si4  1  0.0  0.63  0.94  1.0
  Si  Si5  1  0.08  0.82  0.31  1.0
  Si  Si6  1  0.34  0.94  0.94  1.0
  Si  Si7  1  0.37  0.38  0.0  1.0
  Si  Si8  1  0.37  0.38  0.63  1.0
  Si  Si9  1  0.41  0.82  0.31  1.0
  Si  Si10  1  0.63  0.38  0.0  1.0
  Si  Si11  1  0.63  0.38  0.63  1.0
  Si  Si12  1  0.66  0.94  0.94  1.0
  Si  Si13  1  0.75  0.0  0.0  1.0
  Si  Si14  1  0.75  0.0  0.63  1.0
  Si  Si15  1  0.75  0.13  0.31  1.0

Zn Zn Zn Zn Si Si Si Si Si Si Si Si Si Si Si Si