data_TiPdPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.86
_cell_length_b   4.86
_cell_length_c   4.79
_cell_angle_alpha   101.43
_cell_angle_beta   101.43
_cell_angle_gamma   34.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiPdPt2
_chemical_formula_sum   'Ti1 Pd1 Pt2'
_cell_volume   62.25
_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
  Ti  Ti3  1  0.13  0.0  0.33  1.0
  Pd  Pd0  1  0.53  0.0  0.51  1.0
  Pt  Pt1  1  0.02  0.0  0.67  1.0
  Pt  Pt2  1  0.76  0.0  0.21  1.0

data_TiPdPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   4.79
_cell_length_c   4.86
_cell_angle_alpha   101.43
_cell_angle_beta   107.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiPdPt2
_chemical_formula_sum   'Ti1 Pd1 Pt2'
_cell_volume   62.25
_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
  Ti  Ti0  1  0.0  0.33  0.13  1.0
  Pd  Pd1  1  0.0  0.51  0.53  1.0
  Pt  Pt2  1  0.0  0.21  0.76  1.0
  Pt  Pt3  1  0.0  0.67  0.02  1.0

Ti Pd Pt Pt