data_Ti2ZnSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.3
_cell_length_b   5.3
_cell_length_c   5.3
_cell_angle_alpha   136.15
_cell_angle_beta   136.15
_cell_angle_gamma   63.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2ZnSb
_chemical_formula_sum   'Ti2 Zn1 Sb1'
_cell_volume   70.33
_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  0.0  1.0
  Ti  Ti2  1  0.98  0.0  0.25  1.0
  Zn  Zn3  1  0.0  0.0  0.5  1.0
  Sb  Sb0  1  0.0  0.98  0.25  1.0

data_Ti2ZnSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.95
_cell_length_b   3.95
_cell_length_c   5.3
_cell_angle_alpha   111.93
_cell_angle_beta   111.93
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2ZnSb
_chemical_formula_sum   'Ti2 Zn1 Sb1'
_cell_volume   70.33
_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  0.0  0.0  1.0
  Ti  Ti1  1  0.25  0.27  0.27  1.0
  Zn  Zn2  1  0.5  0.5  0.5  1.0
  Sb  Sb3  1  0.27  0.25  0.27  1.0

Ti Ti Zn Sb