data_ScAl2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.6
_cell_length_b   4.6
_cell_length_c   5.23
_cell_angle_alpha   104.63
_cell_angle_beta   104.63
_cell_angle_gamma   42.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScAl2Pd
_chemical_formula_sum   'Sc1 Al2 Pd1'
_cell_volume   71.52
_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
  Al  Al0  1  0.02  0.0  0.51  1.0
  Al  Al1  1  0.16  0.0  0.53  1.0
  Pd  Pd2  1  0.59  0.0  0.52  1.0

data_ScAl2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.31
_cell_length_b   4.6
_cell_length_c   5.23
_cell_angle_alpha   104.63
_cell_angle_beta   90.0
_cell_angle_gamma   111.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScAl2Pd
_chemical_formula_sum   'Sc1 Al2 Pd1'
_cell_volume   71.52
_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
  Al  Al1  1  0.0  0.84  0.47  1.0
  Al  Al2  1  0.0  0.98  0.49  1.0
  Pd  Pd3  1  0.0  0.41  0.48  1.0

Sc Al Al Pd