data_TaAlPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   2.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaAlPt2
_chemical_formula_sum   'Ta1 Al1 Pt2'
_cell_volume   63.52
_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  Ta3  1  0.87  0.0  0.0  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.43  0.97  0.41  1.0
  Pt  Pt2  1  0.43  0.03  0.41  1.0

data_TaAlPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   4.87
_cell_length_c   4.87
_cell_angle_alpha   107.87
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaAlPt2
_chemical_formula_sum   'Ta1 Al1 Pt2'
_cell_volume   63.52
_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  0.87  0.0  1.0
  Al  Al1  1  0.0  0.0  0.0  1.0
  Pt  Pt2  1  0.41  0.43  0.03  1.0
  Pt  Pt3  1  0.41  0.43  0.97  1.0

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