data_Sr2ScIn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.37
_cell_length_b   6.37
_cell_length_c   3.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2ScIn
_chemical_formula_sum   'Sr2 Sc1 In1'
_cell_volume   144.29
_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
  Sr  Sr2  1  0.85  0.59  0.88  1.0
  Sr  Sr3  1  0.85  0.41  0.88  1.0
  Sc  Sc1  1  0.0  0.0  0.0  1.0
  In  In0  1  0.71  0.0  0.0  1.0

data_Sr2ScIn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.76
_cell_length_b   6.37
_cell_length_c   6.37
_cell_angle_alpha   108.86
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2ScIn
_chemical_formula_sum   'Sr2 Sc1 In1'
_cell_volume   144.29
_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
  Sr  Sr0  1  0.88  0.85  0.41  1.0
  Sr  Sr1  1  0.88  0.85  0.59  1.0
  Sc  Sc2  1  0.0  0.0  0.0  1.0
  In  In3  1  0.0  0.71  0.0  1.0

Sr Sr Sc In
Sr Sr Sc In 0 1 o o o 2 3 - o o 