data_TiSb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.41
_cell_length_b   5.41
_cell_length_c   5.49
_cell_angle_alpha   99.14
_cell_angle_beta   99.14
_cell_angle_gamma   37.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiSb3
_chemical_formula_sum   'Ti1 Sb3'
_cell_volume   97.26
_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
  Sb  Sb0  1  0.66  0.0  0.71  1.0
  Sb  Sb1  1  0.14  0.0  0.28  1.0
  Sb  Sb2  1  0.17  0.0  0.13  1.0

data_TiSb3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.51
_cell_length_b   5.41
_cell_length_c   5.49
_cell_angle_alpha   99.14
_cell_angle_beta   90.0
_cell_angle_gamma   108.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiSb3
_chemical_formula_sum   'Ti1 Sb3'
_cell_volume   97.26
_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
  Sb  Sb1  1  0.0  0.34  0.29  1.0
  Sb  Sb2  1  0.0  0.83  0.87  1.0
  Sb  Sb3  1  0.0  0.86  0.72  1.0

Ti Sb Sb Sb