data_LaTiSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.07
_cell_length_b   6.07
_cell_length_c   6.07
_cell_angle_alpha   136.79
_cell_angle_beta   136.79
_cell_angle_gamma   62.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTiSn2
_chemical_formula_sum   'La1 Ti1 Sn2'
_cell_volume   103.46
_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  0.23  0.0  0.59  1.0
  Ti  Ti3  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.0  0.0  0.18  1.0
  Sn  Sn2  1  0.0  0.23  0.59  1.0

data_LaTiSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.47
_cell_length_b   4.47
_cell_length_c   6.07
_cell_angle_alpha   111.61
_cell_angle_beta   111.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTiSn2
_chemical_formula_sum   'La1 Ti1 Sn2'
_cell_volume   103.46
_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  0.59  0.36  0.36  1.0
  Ti  Ti1  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.18  0.18  0.18  1.0
  Sn  Sn3  1  0.36  0.59  0.36  1.0

La Ti Sn Sn