data_TiZnSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   3.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiZnSn
_chemical_formula_sum   'Ti1 Zn1 Sn1'
_cell_volume   55.81
_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  0.0  0.0  0.15  1.0
  Zn  Zn2  1  0.0  0.62  0.26  1.0
  Sn  Sn0  1  0.27  0.31  0.83  1.0

data_TiZnSn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   4.54
_cell_length_c   4.54
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiZnSn
_chemical_formula_sum   'Ti1 Zn1 Sn1'
_cell_volume   55.81
_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  0.15  0.0  0.0  1.0
  Zn  Zn1  1  0.26  0.0  0.62  1.0
  Sn  Sn2  1  0.83  0.27  0.31  1.0

Ti Zn Sn
Ti Zn Sn 0 1 o - o 0 2 o o - 