data_Ta2AlPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   135.71
_cell_angle_beta   135.71
_cell_angle_gamma   64.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2AlPt
_chemical_formula_sum   'Ta2 Al1 Pt1'
_cell_volume   67.09
_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  0.0  0.0  0.39  1.0
  Ta  Ta3  1  0.0  0.95  0.19  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.95  0.0  0.19  1.0

data_Ta2AlPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.91
_cell_length_b   3.91
_cell_length_c   5.19
_cell_angle_alpha   112.14
_cell_angle_beta   112.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2AlPt
_chemical_formula_sum   'Ta2 Al1 Pt1'
_cell_volume   67.09
_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  0.61  0.0  0.61  1.0
  Ta  Ta1  1  0.76  0.95  0.76  1.0
  Al  Al2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.81  0.0  0.76  1.0

Ta Ta Al Pt
Ta Ta Al Pt 0 3 - o o 0 1 o - o 1 3 - + o 1 2 o + o 2 3 - o o 