data_TiZn2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.59
_cell_length_b   3.6
_cell_length_c   5.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiZn2Sb
_chemical_formula_sum   'Ti1 Zn2 Sb1'
_cell_volume   72.98
_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  0.35  0.0  0.17  1.0
  Zn  Zn2  1  0.12  0.8  0.09  1.0
  Zn  Zn3  1  0.31  0.0  0.25  1.0
  Sb  Sb0  1  0.14  0.8  0.96  1.0

data_TiZn2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.59
_cell_length_b   3.6
_cell_length_c   5.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiZn2Sb
_chemical_formula_sum   'Ti1 Zn2 Sb1'
_cell_volume   72.98
_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  0.35  0.0  0.17  1.0
  Zn  Zn1  1  0.12  0.8  0.09  1.0
  Zn  Zn2  1  0.31  0.0  0.25  1.0
  Sb  Sb3  1  0.14  0.8  0.96  1.0

Ti Zn Zn Sb