data_K2TaAl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.91
_cell_length_b   6.34
_cell_length_c   5.52
_cell_angle_alpha   90.0
_cell_angle_beta   91.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2TaAl
_chemical_formula_sum   'K2 Ta1 Al1'
_cell_volume   101.81
_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  K1  1  0.63  0.17  0.16  1.0
  K  K2  1  0.13  0.17  0.35  1.0
  Ta  Ta3  1  0.38  0.0  0.76  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0

data_K2TaAl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   5.52
_cell_length_c   6.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2TaAl
_chemical_formula_sum   'K2 Ta1 Al1'
_cell_volume   101.81
_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  0.37  0.84  0.83  1.0
  K  K1  1  0.87  0.65  0.83  1.0
  Ta  Ta2  1  0.62  0.24  0.0  1.0
  Al  Al3  1  0.0  0.0  0.0  1.0

K K Ta Al