data_TiPdPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.84
_cell_length_b   4.84
_cell_length_c   4.8
_cell_angle_alpha   101.49
_cell_angle_beta   101.49
_cell_angle_gamma   34.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiPdPt2
_chemical_formula_sum   'Ti1 Pd1 Pt2'
_cell_volume   62.13
_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  0.0  0.0  0.0  1.0
  Pd  Pd0  1  0.12  0.0  0.35  1.0
  Pt  Pt1  1  0.62  0.0  0.54  1.0
  Pt  Pt2  1  0.62  0.0  0.15  1.0

data_TiPdPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   4.8
_cell_length_c   4.84
_cell_angle_alpha   101.49
_cell_angle_beta   107.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiPdPt2
_chemical_formula_sum   'Ti1 Pd1 Pt2'
_cell_volume   62.13
_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  0.0  0.0  1.0
  Pd  Pd1  1  0.0  0.35  0.12  1.0
  Pt  Pt2  1  0.0  0.15  0.62  1.0
  Pt  Pt3  1  0.0  0.54  0.62  1.0

Ti Pd Pt Pt
Ti Pd Pt Pt 0 1 o o o 0 3 - o o 2 3 o o o 