data_NbAl2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   5.09
_cell_angle_alpha   135.73
_cell_angle_beta   135.73
_cell_angle_gamma   64.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbAl2Pt
_chemical_formula_sum   'Nb1 Al2 Pt1'
_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
  Nb  Nb2  1  0.0  0.0  0.31  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Al  Al1  1  0.92  0.0  0.16  1.0
  Pt  Pt3  1  0.0  0.92  0.16  1.0

data_NbAl2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.84
_cell_length_b   3.84
_cell_length_c   5.09
_cell_angle_alpha   112.14
_cell_angle_beta   112.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbAl2Pt
_chemical_formula_sum   'Nb1 Al2 Pt1'
_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
  Nb  Nb0  1  0.69  0.0  0.69  1.0
  Al  Al1  1  0.0  0.0  0.0  1.0
  Al  Al2  1  0.84  0.0  0.76  1.0
  Pt  Pt3  1  0.76  0.92  0.76  1.0

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