data_LaTiSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.18
_cell_length_b   6.18
_cell_length_c   6.18
_cell_angle_alpha   137.87
_cell_angle_beta   137.87
_cell_angle_gamma   61.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTiSb2
_chemical_formula_sum   'La1 Ti1 Sb2'
_cell_volume   105.24
_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  0.22  0.0  0.66  1.0
  Ti  Ti3  1  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.0  0.0  0.33  1.0
  Sb  Sb2  1  0.0  0.22  0.66  1.0

data_LaTiSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.45
_cell_length_b   4.45
_cell_length_c   6.18
_cell_angle_alpha   111.06
_cell_angle_beta   111.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTiSb2
_chemical_formula_sum   'La1 Ti1 Sb2'
_cell_volume   105.24
_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  0.34  0.0  0.56  1.0
  Ti  Ti1  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.56  0.22  0.56  1.0
  Sb  Sb3  1  0.67  0.0  0.67  1.0

La Ti Sb Sb
La Ti Sb Sb 0 2 o o o 0 3 o o o 1 2 o o o 2 3 o o o 