data_Sc2In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.05
_cell_length_b   6.05
_cell_length_c   7.64
_cell_angle_alpha   102.43
_cell_angle_beta   102.43
_cell_angle_gamma   31.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2In
_chemical_formula_sum   'Sc4 In2'
_cell_volume   142.89
_cell_formula_units_Z   2
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
  Sc  Sc2  1  0.78  0.0  0.01  1.0
  Sc  Sc3  1  1.0  0.0  0.06  1.0
  Sc  Sc4  1  0.69  0.0  0.53  1.0
  Sc  Sc5  1  0.73  0.0  0.04  1.0
  In  In0  1  0.85  0.0  0.39  1.0
  In  In1  1  0.21  0.0  0.5  1.0

data_Sc2In
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.3
_cell_length_b   6.05
_cell_length_c   7.64
_cell_angle_alpha   102.43
_cell_angle_beta   90.0
_cell_angle_gamma   105.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2In
_chemical_formula_sum   'Sc4 In2'
_cell_volume   142.89
_cell_formula_units_Z   2
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
  Sc  Sc0  1  0.0  0.0  0.94  1.0
  Sc  Sc1  1  0.0  0.22  0.99  1.0
  Sc  Sc2  1  0.0  0.27  0.96  1.0
  Sc  Sc3  1  0.0  0.31  0.47  1.0
  In  In4  1  0.0  0.15  0.61  1.0
  In  In5  1  0.0  0.79  0.5  1.0

Sc Sc Sc Sc In In