data_K2TaPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.92
_cell_length_b   6.11
_cell_length_c   5.3
_cell_angle_alpha   90.0
_cell_angle_beta   92.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2TaPd
_chemical_formula_sum   'K2 Ta1 Pd1'
_cell_volume   94.36
_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  0.14  0.06  0.27  1.0
  K  K1  1  0.52  0.06  0.02  1.0
  Ta  Ta3  1  0.33  0.0  0.64  1.0
  Pd  Pd2  1  0.0  0.0  0.0  1.0

data_K2TaPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   5.3
_cell_length_c   6.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2TaPd
_chemical_formula_sum   'K2 Ta1 Pd1'
_cell_volume   94.36
_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  0.48  0.98  0.94  1.0
  K  K1  1  0.86  0.73  0.94  1.0
  Ta  Ta2  1  0.67  0.36  0.0  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0

K K Ta Pd