data_TaAlNi6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.26
_cell_length_b   6.26
_cell_length_c   10.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaAlNi6
_chemical_formula_sum   'Ta4 Al4 Ni24'
_cell_volume   376.94
_cell_formula_units_Z   4
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  Ta28  1  0.61  0.48  0.11  1.0
  Ta  Ta29  1  0.61  0.52  0.11  1.0
  Ta  Ta30  1  0.61  0.0  0.72  1.0
  Ta  Ta31  1  0.61  0.0  0.5  1.0
  Al  Al0  1  0.61  0.49  0.0  1.0
  Al  Al1  1  0.61  0.51  0.0  1.0
  Al  Al2  1  0.0  0.0  0.71  1.0
  Al  Al3  1  0.0  0.0  0.51  1.0
  Ni  Ni4  1  0.61  0.43  0.68  1.0
  Ni  Ni5  1  0.78  0.72  0.96  1.0
  Ni  Ni6  1  0.43  0.28  0.96  1.0
  Ni  Ni7  1  0.61  0.57  0.68  1.0
  Ni  Ni8  1  0.43  0.72  0.96  1.0
  Ni  Ni9  1  0.78  0.28  0.96  1.0
  Ni  Ni10  1  0.0  0.0  0.11  1.0
  Ni  Ni11  1  0.43  0.27  0.4  1.0
  Ni  Ni12  1  0.43  0.73  0.4  1.0
  Ni  Ni13  1  0.61  0.43  0.54  1.0
  Ni  Ni14  1  0.78  0.73  0.82  1.0
  Ni  Ni15  1  0.43  0.27  0.82  1.0
  Ni  Ni16  1  0.61  0.57  0.54  1.0
  Ni  Ni17  1  0.43  0.73  0.82  1.0
  Ni  Ni18  1  0.78  0.27  0.82  1.0
  Ni  Ni19  1  0.0  0.0  0.0  1.0
  Ni  Ni20  1  0.43  0.28  0.26  1.0
  Ni  Ni21  1  0.43  0.72  0.26  1.0
  Ni  Ni22  1  0.61  0.0  0.11  1.0
  Ni  Ni23  1  0.78  0.27  0.4  1.0
  Ni  Ni24  1  0.78  0.73  0.4  1.0
  Ni  Ni25  1  0.61  0.0  0.0  1.0
  Ni  Ni26  1  0.78  0.28  0.26  1.0
  Ni  Ni27  1  0.78  0.72  0.26  1.0

data_TaAlNi6
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.26
_cell_length_b   6.26
_cell_length_c   10.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaAlNi6
_chemical_formula_sum   'Ta4 Al4 Ni24'
_cell_volume   376.94
_cell_formula_units_Z   4
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  0.5  1.0
  Ta  Ta1  1  0.61  0.0  0.72  1.0
  Ta  Ta2  1  0.61  0.48  0.11  1.0
  Ta  Ta3  1  0.61  0.52  0.11  1.0
  Al  Al4  1  0.0  0.0  0.51  1.0
  Al  Al5  1  0.0  0.0  0.71  1.0
  Al  Al6  1  0.61  0.49  0.0  1.0
  Al  Al7  1  0.61  0.51  0.0  1.0
  Ni  Ni8  1  0.0  0.0  0.0  1.0
  Ni  Ni9  1  0.0  0.0  0.11  1.0
  Ni  Ni10  1  0.43  0.27  0.4  1.0
  Ni  Ni11  1  0.43  0.27  0.82  1.0
  Ni  Ni12  1  0.43  0.73  0.4  1.0
  Ni  Ni13  1  0.43  0.73  0.82  1.0
  Ni  Ni14  1  0.43  0.28  0.26  1.0
  Ni  Ni15  1  0.43  0.28  0.96  1.0
  Ni  Ni16  1  0.43  0.72  0.26  1.0
  Ni  Ni17  1  0.43  0.72  0.96  1.0
  Ni  Ni18  1  0.61  0.0  0.0  1.0
  Ni  Ni19  1  0.61  0.0  0.11  1.0
  Ni  Ni20  1  0.61  0.43  0.54  1.0
  Ni  Ni21  1  0.61  0.43  0.68  1.0
  Ni  Ni22  1  0.61  0.57  0.54  1.0
  Ni  Ni23  1  0.61  0.57  0.68  1.0
  Ni  Ni24  1  0.78  0.28  0.26  1.0
  Ni  Ni25  1  0.78  0.28  0.96  1.0
  Ni  Ni26  1  0.78  0.72  0.26  1.0
  Ni  Ni27  1  0.78  0.72  0.96  1.0
  Ni  Ni28  1  0.78  0.27  0.4  1.0
  Ni  Ni29  1  0.78  0.27  0.82  1.0
  Ni  Ni30  1  0.78  0.73  0.4  1.0
  Ni  Ni31  1  0.78  0.73  0.82  1.0

Ta Ta Ta Ta Al Al Al Al Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni