data_LiScIn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.93
_cell_length_b   9.93
_cell_length_c   9.93
_cell_angle_alpha   19.22
_cell_angle_beta   19.22
_cell_angle_gamma   19.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiScIn2
_chemical_formula_sum   'Li1 Sc1 In2'
_cell_volume   92.89
_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
  Sc  Sc3  1  0.0  0.0  0.62  1.0
  In  In0  1  0.0  0.0  0.36  1.0
  In  In1  1  0.0  0.0  0.89  1.0

data_LiScIn2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.75
_cell_length_b   3.32
_cell_length_c   9.93
_cell_angle_alpha   90.0
_cell_angle_beta   101.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiScIn2
_chemical_formula_sum   'Li2 Sc2 In4'
_cell_volume   185.78
_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  0.0  1.0
  Sc  Sc1  2  0.0  0.0  0.38  1.0
  In  In2  2  0.0  0.0  0.11  1.0
  In  In3  2  0.0  0.0  0.64  1.0

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