data_ZnFeSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.15
_cell_length_b   4.15
_cell_length_c   4.7
_cell_angle_alpha   98.46
_cell_angle_beta   98.46
_cell_angle_gamma   40.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnFeSi2
_chemical_formula_sum   'Zn1 Fe1 Si2'
_cell_volume   51.37
_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  Zn3  1  0.53  0.0  0.32  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Si  Si1  1  0.48  0.0  0.66  1.0
  Si  Si2  1  0.58  0.0  0.99  1.0

data_ZnFeSi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   4.15
_cell_length_c   4.7
_cell_angle_alpha   98.46
_cell_angle_beta   90.0
_cell_angle_gamma   110.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnFeSi2
_chemical_formula_sum   'Zn1 Fe1 Si2'
_cell_volume   51.37
_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  Zn0  1  0.0  0.47  0.68  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Si  Si2  1  0.0  0.42  0.01  1.0
  Si  Si3  1  0.0  0.52  0.34  1.0

Zn Fe Si Si