data_KNaFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.36
_cell_length_b   4.36
_cell_length_c   9.11
_cell_angle_alpha   93.59
_cell_angle_beta   93.59
_cell_angle_gamma   39.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNaFe2
_chemical_formula_sum   'K1 Na1 Fe2'
_cell_volume   108.75
_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  0.73  0.0  0.91  1.0
  Na  Na3  1  0.72  0.0  0.66  1.0
  Fe  Fe0  1  0.04  0.0  0.86  1.0
  Fe  Fe1  1  0.94  0.0  0.2  1.0

data_KNaFe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   4.36
_cell_length_c   9.11
_cell_angle_alpha   93.59
_cell_angle_beta   90.0
_cell_angle_gamma   109.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNaFe2
_chemical_formula_sum   'K1 Na1 Fe2'
_cell_volume   108.75
_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  0.0  0.27  0.09  1.0
  Na  Na1  1  0.0  0.28  0.34  1.0
  Fe  Fe2  1  0.0  0.06  0.8  1.0
  Fe  Fe3  1  0.0  0.96  0.14  1.0

K Na Fe Fe
K Na Fe Fe 0 2 + o o 0 1 o o o 0 3 o o + 1 2 + o o 2 3 - o + 3 3 + - o 