data_Sc2PdPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.44
_cell_length_b   3.44
_cell_length_c   6.94
_cell_angle_alpha   109.38
_cell_angle_beta   109.38
_cell_angle_gamma   69.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2PdPt
_chemical_formula_sum   'Sc2 Pd1 Pt1'
_cell_volume   70.35
_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  0.45  0.0  0.66  1.0
  Sc  Sc3  1  0.41  0.0  0.68  1.0
  Pd  Pd0  1  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.43  0.0  0.17  1.0

data_Sc2PdPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.44
_cell_length_b   3.44
_cell_length_c   6.64
_cell_angle_alpha   99.46
_cell_angle_beta   99.88
_cell_angle_gamma   110.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2PdPt
_chemical_formula_sum   'Sc2 Pd1 Pt1'
_cell_volume   70.35
_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  0.72  0.0  0.32  1.0
  Sc  Sc1  1  0.79  0.0  0.34  1.0
  Pd  Pd2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.26  0.0  0.83  1.0

Sc Sc Pd Pt
Sc Sc Pd Pt 0 1 o o o 2 3 o o o 