data_Li2LaIn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33
_cell_length_b   5.33
_cell_length_c   5.33
_cell_angle_alpha   57.65
_cell_angle_beta   57.65
_cell_angle_gamma   57.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2LaIn
_chemical_formula_sum   'Li2 La1 In1'
_cell_volume   101.31
_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  0.12  1.0
  Li  Li3  1  0.0  0.0  0.38  1.0
  La  La1  1  0.0  0.0  1.0  1.0
  In  In0  1  0.0  0.0  0.81  1.0

data_Li2LaIn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   8.9
_cell_length_b   5.14
_cell_length_c   5.33
_cell_angle_alpha   90.0
_cell_angle_beta   123.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Li2LaIn
_chemical_formula_sum   'Li4 La2 In2'
_cell_volume   202.62
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.12  1.0
  Li  Li1  2  0.0  0.0  0.38  1.0
  La  La2  2  0.0  0.0  1.0  1.0
  In  In3  2  0.0  0.0  0.81  1.0

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