data_TaTiSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.95
_cell_length_b   4.95
_cell_length_c   5.13
_cell_angle_alpha   96.54
_cell_angle_beta   96.54
_cell_angle_gamma   41.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTiSb2
_chemical_formula_sum   'Ta1 Ti1 Sb2'
_cell_volume   82.43
_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
  Ta  Ta2  1  0.32  0.0  0.55  1.0
  Ti  Ti3  1  0.0  0.0  0.0  1.0
  Sb  Sb0  1  0.79  0.0  0.81  1.0
  Sb  Sb1  1  0.85  0.0  0.29  1.0

data_TaTiSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.49
_cell_length_b   4.95
_cell_length_c   5.13
_cell_angle_alpha   96.54
_cell_angle_beta   90.0
_cell_angle_gamma   110.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTiSb2
_chemical_formula_sum   'Ta1 Ti1 Sb2'
_cell_volume   82.43
_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
  Ta  Ta0  1  0.0  0.68  0.45  1.0
  Ti  Ti1  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.0  0.15  0.71  1.0
  Sb  Sb3  1  0.0  0.21  0.19  1.0

Ta Ti Sb Sb