data_NaTaAl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   6.28
_cell_angle_alpha   95.02
_cell_angle_beta   95.02
_cell_angle_gamma   33.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTaAl2
_chemical_formula_sum   'Na1 Ta1 Al2'
_cell_volume   81.63
_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
  Na  Na2  1  0.0  0.0  0.0  1.0
  Ta  Ta3  1  0.38  0.0  0.13  1.0
  Al  Al0  1  0.87  0.0  0.32  1.0
  Al  Al1  1  0.89  0.0  0.93  1.0

data_NaTaAl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   4.87
_cell_length_c   6.28
_cell_angle_alpha   95.02
_cell_angle_beta   90.0
_cell_angle_gamma   106.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTaAl2
_chemical_formula_sum   'Na1 Ta1 Al2'
_cell_volume   81.63
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Ta  Ta1  1  0.0  0.62  0.87  1.0
  Al  Al2  1  0.0  0.11  0.07  1.0
  Al  Al3  1  0.0  0.13  0.68  1.0

Na Ta Al Al