data_Ti2SbSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.44
_cell_length_b   6.44
_cell_length_c   6.44
_cell_angle_alpha   149.85
_cell_angle_beta   140.72
_cell_angle_gamma   50.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2SbSe
_chemical_formula_sum   'Ti2 Sb1 Se1'
_cell_volume   84.61
_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  0.17  0.15  1.0
  Ti  Ti3  1  0.0  0.0  0.28  1.0
  Sb  Sb0  1  0.0  0.17  0.05  1.0
  Se  Se1  1  0.0  0.0  0.01  1.0

data_Ti2SbSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   4.33
_cell_length_c   6.44
_cell_angle_alpha   109.64
_cell_angle_beta   105.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2SbSe
_chemical_formula_sum   'Ti2 Sb1 Se1'
_cell_volume   84.61
_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  0.28  0.28  1.0
  Ti  Ti1  1  0.83  0.99  0.99  1.0
  Sb  Sb2  1  0.83  0.89  0.89  1.0
  Se  Se3  1  0.0  0.01  0.01  1.0

Ti Ti Sb Se