data_LiIn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.02
_cell_length_b   6.02
_cell_length_c   6.02
_cell_angle_alpha   116.73
_cell_angle_beta   116.73
_cell_angle_gamma   116.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiIn3
_chemical_formula_sum   'Li1 In3'
_cell_volume   100.35
_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  0.0  1.0
  In  In0  1  0.0  0.96  0.1  1.0
  In  In1  1  0.56  0.52  0.1  1.0
  In  In2  1  0.44  0.52  0.1  1.0

data_LiIn3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.31
_cell_length_b   6.02
_cell_length_c   6.02
_cell_angle_alpha   116.73
_cell_angle_beta   100.55
_cell_angle_gamma   100.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiIn3
_chemical_formula_sum   'Li1 In3'
_cell_volume   100.35
_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
  In  In1  1  0.1  0.54  0.58  1.0
  In  In2  1  0.1  0.67  0.58  1.0
  In  In3  1  0.1  0.1  0.14  1.0

Li In In In