data_LiAl2In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.03
_cell_length_b   3.03
_cell_length_c   8.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAl2In
_chemical_formula_sum   'Li1 Al2 In1'
_cell_volume   77.7
_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
  Li  Li3  1  0.0  0.0  0.91  1.0
  Al  Al0  1  0.07  0.0  0.0  1.0
  Al  Al1  1  0.0  0.0  0.6  1.0
  In  In2  1  0.07  0.0  0.22  1.0

data_LiAl2In
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.03
_cell_length_b   3.03
_cell_length_c   8.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAl2In
_chemical_formula_sum   'Li1 Al2 In1'
_cell_volume   77.7
_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
  Li  Li0  1  0.0  0.0  0.91  1.0
  Al  Al1  1  0.0  0.0  0.6  1.0
  Al  Al2  1  0.07  0.0  0.0  1.0
  In  In3  1  0.07  0.0  0.22  1.0

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