data_KTaAl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.89
_cell_length_b   4.69
_cell_length_c   7.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTaAl2
_chemical_formula_sum   'K1 Ta1 Al2'
_cell_volume   104.29
_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
  K  K2  1  0.97  0.0  0.85  1.0
  Ta  Ta3  1  0.11  0.35  0.88  1.0
  Al  Al0  1  0.54  0.0  0.51  1.0
  Al  Al1  1  0.45  0.35  0.31  1.0

data_KTaAl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   4.69
_cell_length_c   7.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTaAl2
_chemical_formula_sum   'K1 Ta1 Al2'
_cell_volume   104.29
_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
  K  K0  1  0.97  0.0  0.85  1.0
  Ta  Ta1  1  0.11  0.35  0.88  1.0
  Al  Al2  1  0.45  0.35  0.31  1.0
  Al  Al3  1  0.54  0.0  0.51  1.0

K Ta Al Al