data_Na2LiIn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.72
_cell_length_b   5.13
_cell_length_c   5.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2LiIn
_chemical_formula_sum   'Na2 Li1 In1'
_cell_volume   102.18
_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
  Na  Na2  1  0.0  0.57  0.68  1.0
  Na  Na3  1  0.86  0.0  0.68  1.0
  Li  Li1  1  0.0  0.0  0.0  1.0
  In  In0  1  0.86  0.57  0.0  1.0

data_Na2LiIn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.72
_cell_length_b   5.13
_cell_length_c   5.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2LiIn
_chemical_formula_sum   'Na2 Li1 In1'
_cell_volume   102.18
_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
  Na  Na0  1  0.0  0.57  0.68  1.0
  Na  Na1  1  0.86  0.0  0.68  1.0
  Li  Li2  1  0.0  0.0  0.0  1.0
  In  In3  1  0.86  0.57  -0.0  1.0

Na Na Li In
Na Na Li In 0 3 - o + 1 2 + o + 