data_LaGa2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.37
_cell_length_b   4.84
_cell_length_c   5.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaGa2Sn
_chemical_formula_sum   'La1 Ga2 Sn1'
_cell_volume   97.18
_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  La2  1  0.66  0.0  0.98  1.0
  Ga  Ga0  1  0.03  0.42  0.6  1.0
  Ga  Ga1  1  0.29  0.42  0.35  1.0
  Sn  Sn3  1  0.0  0.0  0.0  1.0

data_LaGa2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.37
_cell_length_b   4.84
_cell_length_c   5.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaGa2Sn
_chemical_formula_sum   'La1 Ga2 Sn1'
_cell_volume   97.18
_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  0.66  0.0  0.98  1.0
  Ga  Ga1  1  0.03  0.42  0.6  1.0
  Ga  Ga2  1  0.29  0.42  0.35  1.0
  Sn  Sn3  1  0.0  0.0  0.0  1.0

La Ga Ga Sn
La Ga Ga Sn 0 3 + o + 1 2 o o o 