data_LiIn2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.7
_cell_length_b   5.7
_cell_length_c   5.7
_cell_angle_alpha   132.91
_cell_angle_beta   132.91
_cell_angle_gamma   68.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiIn2Sn
_chemical_formula_sum   'Li1 In2 Sn1'
_cell_volume   97.73
_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  Li2  1  0.0  0.0  0.0  1.0
  In  In0  1  0.0  0.0  0.71  1.0
  In  In1  1  0.0  0.28  0.35  1.0
  Sn  Sn3  1  0.28  0.0  0.35  1.0

data_LiIn2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.56
_cell_length_b   4.56
_cell_length_c   5.7
_cell_angle_alpha   113.54
_cell_angle_beta   113.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiIn2Sn
_chemical_formula_sum   'Li1 In2 Sn1'
_cell_volume   97.73
_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  0.29  0.0  0.29  1.0
  In  In2  1  0.93  0.28  0.93  1.0
  Sn  Sn3  1  0.65  0.0  0.93  1.0

Li In In Sn
Li In In Sn 0 2 o o o 0 1 o o - 0 3 o o o 2 3 o o o 