data_Ta2PdPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97
_cell_length_b   4.97
_cell_length_c   4.98
_cell_angle_alpha   99.62
_cell_angle_beta   99.62
_cell_angle_gamma   33.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2PdPt
_chemical_formula_sum   'Ta2 Pd1 Pt1'
_cell_volume   67.01
_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
  Ta  Ta2  1  0.91  0.0  0.23  1.0
  Ta  Ta3  1  0.72  0.0  0.68  1.0
  Pd  Pd0  1  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.32  0.0  0.45  1.0

data_Ta2PdPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   4.97
_cell_length_c   4.98
_cell_angle_alpha   99.62
_cell_angle_beta   90.0
_cell_angle_gamma   106.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2PdPt
_chemical_formula_sum   'Ta2 Pd1 Pt1'
_cell_volume   67.01
_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
  Ta  Ta0  1  0.0  0.09  0.77  1.0
  Ta  Ta1  1  0.0  0.28  0.32  1.0
  Pd  Pd2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.0  0.68  0.55  1.0

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