data_ScCdIn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39
_cell_length_b   5.39
_cell_length_c   3.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCdIn2
_chemical_formula_sum   'Sc1 Cd1 In2'
_cell_volume   93.33
_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
  Sc  Sc3  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.2  0.0  0.0  1.0
  In  In1  1  0.6  0.83  0.68  1.0
  In  In2  1  0.6  0.17  0.68  1.0

data_ScCdIn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   5.39
_cell_length_c   5.39
_cell_angle_alpha   107.09
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCdIn2
_chemical_formula_sum   'Sc1 Cd1 In2'
_cell_volume   93.33
_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
  Sc  Sc0  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.0  0.2  0.0  1.0
  In  In2  1  0.68  0.6  0.17  1.0
  In  In3  1  0.68  0.6  0.83  1.0

Sc Cd In In