data_Li3In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.38
_cell_length_b   5.38
_cell_length_c   5.38
_cell_angle_alpha   141.5
_cell_angle_beta   129.47
_cell_angle_gamma   65.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3In
_chemical_formula_sum   'Li3 In1'
_cell_volume   73.68
_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  Li1  1  0.77  0.0  0.19  1.0
  Li  Li2  1  0.0  0.29  0.34  1.0
  Li  Li3  1  0.0  0.0  0.0  1.0
  In  In0  1  0.0  0.0  0.53  1.0

data_Li3In
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.55
_cell_length_b   4.59
_cell_length_c   5.38
_cell_angle_alpha   115.26
_cell_angle_beta   109.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3In
_chemical_formula_sum   'Li3 In1'
_cell_volume   73.68
_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  0.0  1.0
  Li  Li1  1  0.0  0.19  0.41  1.0
  Li  Li2  1  0.71  0.05  0.05  1.0
  In  In3  1  0.0  0.53  0.53  1.0

Li Li Li In