data_TiSnSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.97
_cell_length_b   5.97
_cell_length_c   5.97
_cell_angle_alpha   137.36
_cell_angle_beta   137.36
_cell_angle_gamma   61.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiSnSb2
_chemical_formula_sum   'Ti1 Sn1 Sb2'
_cell_volume   96.25
_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  Ti3  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.0  0.17  0.56  1.0
  Sb  Sb0  1  0.17  0.0  0.56  1.0
  Sb  Sb1  1  0.0  0.0  0.12  1.0

data_TiSnSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.34
_cell_length_b   4.34
_cell_length_c   5.97
_cell_angle_alpha   111.32
_cell_angle_beta   111.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiSnSb2
_chemical_formula_sum   'Ti1 Sn1 Sb2'
_cell_volume   96.25
_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
  Sn  Sn1  1  0.61  0.17  0.61  1.0
  Sb  Sb2  1  0.44  0.0  0.61  1.0
  Sb  Sb3  1  0.88  0.0  0.88  1.0

Ti Sn Sb Sb