data_K2FeNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.05
_cell_length_b   3.74
_cell_length_c   9.41
_cell_angle_alpha   90.0
_cell_angle_beta   98.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2FeNi
_chemical_formula_sum   'K2 Fe1 Ni1'
_cell_volume   106.29
_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  K1  1  0.57  0.87  0.56  1.0
  K  K2  1  0.02  0.0  0.07  1.0
  Fe  Fe0  1  0.55  0.0  0.03  1.0
  Ni  Ni3  1  0.02  0.87  0.61  1.0

data_K2FeNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   3.74
_cell_length_c   9.41
_cell_angle_alpha   90.0
_cell_angle_beta   98.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2FeNi
_chemical_formula_sum   'K2 Fe1 Ni1'
_cell_volume   106.29
_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  0.02  0.0  0.07  1.0
  K  K1  1  0.57  0.87  0.56  1.0
  Fe  Fe2  1  0.55  0.0  0.03  1.0
  Ni  Ni3  1  0.02  0.87  0.61  1.0

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