data_LaPdPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.62
_cell_length_b   3.62
_cell_length_c   5.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   94.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaPdPt2
_chemical_formula_sum   'La1 Pd1 Pt2'
_cell_volume   77.41
_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
  La  La0  1  0.0  0.0  0.96  1.0
  Pd  Pd1  1  0.0  0.0  0.0  1.0
  Pt  Pt2  1  0.46  0.0  0.38  1.0
  Pt  Pt3  1  0.46  0.0  0.54  1.0

data_LaPdPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.62
_cell_length_b   3.62
_cell_length_c   5.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   94.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaPdPt2
_chemical_formula_sum   'La1 Pd1 Pt2'
_cell_volume   77.41
_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
  La  La0  1  0.0  0.0  0.96  1.0
  Pd  Pd1  1  0.0  0.0  0.0  1.0
  Pt  Pt2  1  0.46  0.0  0.38  1.0
  Pt  Pt3  1  0.46  0.0  0.54  1.0

La Pd Pt Pt
La Pd Pt Pt 0 1 o o + 2 3 o o o 