data_TiZn2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   5.1
_cell_angle_alpha   114.69
_cell_angle_beta   114.69
_cell_angle_gamma   31.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiZn2Si
_chemical_formula_sum   'Ti1 Zn2 Si1'
_cell_volume   60.64
_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
  Ti  Ti1  1  0.57  0.0  0.61  1.0
  Zn  Zn2  1  0.66  0.0  0.21  1.0
  Zn  Zn3  1  0.53  0.0  0.85  1.0
  Si  Si0  1  0.98  0.0  0.82  1.0

data_TiZn2Si
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.72
_cell_length_b   5.04
_cell_length_c   5.1
_cell_angle_alpha   114.69
_cell_angle_beta   90.0
_cell_angle_gamma   105.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiZn2Si
_chemical_formula_sum   'Ti1 Zn2 Si1'
_cell_volume   60.64
_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
  Ti  Ti0  1  0.0  0.43  0.39  1.0
  Zn  Zn1  1  0.0  0.34  0.79  1.0
  Zn  Zn2  1  0.0  0.47  0.15  1.0
  Si  Si3  1  0.0  0.02  0.18  1.0

Ti Zn Zn Si