data_La2TiSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.96
_cell_length_b   5.96
_cell_length_c   5.96
_cell_angle_alpha   134.3
_cell_angle_beta   132.35
_cell_angle_gamma   68.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2TiSb
_chemical_formula_sum   'La2 Ti1 Sb1'
_cell_volume   110.18
_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
  La  La0  1  0.0  0.41  0.56  1.0
  La  La1  1  0.32  0.0  0.38  1.0
  Ti  Ti3  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.0  0.0  0.94  1.0

data_La2TiSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.63
_cell_length_b   4.82
_cell_length_c   5.96
_cell_angle_alpha   113.83
_cell_angle_beta   112.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2TiSb
_chemical_formula_sum   'La2 Ti1 Sb1'
_cell_volume   110.18
_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
  La  La0  1  0.0  0.38  0.06  1.0
  La  La1  1  0.59  0.15  0.15  1.0
  Ti  Ti2  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.0  0.94  0.94  1.0

La La Ti Sb