data_ZrTaAl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54
_cell_length_b   5.54
_cell_length_c   4.91
_cell_angle_alpha   114.03
_cell_angle_beta   114.03
_cell_angle_gamma   32.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTaAl2
_chemical_formula_sum   'Zr1 Ta1 Al2'
_cell_volume   73.0
_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
  Zr  Zr3  1  0.33  0.0  0.31  1.0
  Ta  Ta2  1  0.47  0.0  0.03  1.0
  Al  Al0  1  0.61  0.0  0.15  1.0
  Al  Al1  1  0.99  0.0  0.61  1.0

data_ZrTaAl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   4.91
_cell_length_c   5.54
_cell_angle_alpha   114.03
_cell_angle_beta   106.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTaAl2
_chemical_formula_sum   'Zr1 Ta1 Al2'
_cell_volume   73.0
_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
  Zr  Zr0  1  0.0  0.31  0.33  1.0
  Ta  Ta1  1  0.0  0.03  0.47  1.0
  Al  Al2  1  0.0  0.15  0.61  1.0
  Al  Al3  1  0.0  0.61  0.99  1.0

Zr Ta Al Al