data_Sc2InPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.51
_cell_length_b   5.51
_cell_length_c   5.51
_cell_angle_alpha   135.43
_cell_angle_beta   135.43
_cell_angle_gamma   64.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2InPd
_chemical_formula_sum   'Sc2 In1 Pd1'
_cell_volume   81.1
_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  Sc2  1  0.0  0.09  0.32  1.0
  Sc  Sc3  1  0.0  0.0  0.0  1.0
  In  In0  1  0.09  0.0  0.32  1.0
  Pd  Pd1  1  0.0  0.0  0.65  1.0

data_Sc2InPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.18
_cell_length_b   4.18
_cell_length_c   5.51
_cell_angle_alpha   112.28
_cell_angle_beta   112.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2InPd
_chemical_formula_sum   'Sc2 In1 Pd1'
_cell_volume   81.1
_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
  Sc  Sc1  1  0.76  0.09  0.76  1.0
  In  In2  1  0.68  0.0  0.76  1.0
  Pd  Pd3  1  0.35  0.0  0.35  1.0

Sc Sc In Pd