data_TiZnSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   5.63
_cell_angle_alpha   97.22
_cell_angle_beta   97.22
_cell_angle_gamma   36.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiZnSb2
_chemical_formula_sum   'Ti1 Zn1 Sb2'
_cell_volume   86.22
_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  Ti2  1  0.0  0.0  0.0  1.0
  Zn  Zn3  1  0.5  0.0  0.79  1.0
  Sb  Sb0  1  0.94  0.0  0.29  1.0
  Sb  Sb1  1  0.06  0.0  0.29  1.0

data_TiZnSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   5.12
_cell_length_c   5.63
_cell_angle_alpha   97.22
_cell_angle_beta   90.0
_cell_angle_gamma   108.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiZnSb2
_chemical_formula_sum   'Ti1 Zn1 Sb2'
_cell_volume   86.22
_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
  Zn  Zn1  1  0.0  0.5  0.21  1.0
  Sb  Sb2  1  0.0  0.06  0.71  1.0
  Sb  Sb3  1  0.0  0.94  0.71  1.0

Ti Zn Sb Sb