data_K2TaFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.84
_cell_length_b   6.84
_cell_length_c   3.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2TaFe
_chemical_formula_sum   'K2 Ta1 Fe1'
_cell_volume   169.97
_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  0.96  0.8  0.94  1.0
  K  K2  1  0.96  0.2  0.94  1.0
  Ta  Ta3  1  0.92  0.0  0.0  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0

data_K2TaFe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.87
_cell_length_b   6.84
_cell_length_c   6.84
_cell_angle_alpha   110.07
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2TaFe
_chemical_formula_sum   'K2 Ta1 Fe1'
_cell_volume   169.97
_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  0.94  0.96  0.2  1.0
  K  K1  1  0.94  0.96  0.8  1.0
  Ta  Ta2  1  0.0  0.92  0.0  1.0
  Fe  Fe3  1  0.0  0.0  0.0  1.0

K K Ta Fe