data_KFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.35
_cell_length_b   4.35
_cell_length_c   9.95
_cell_angle_alpha   94.37
_cell_angle_beta   94.37
_cell_angle_gamma   40.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KFe
_chemical_formula_sum   'K2 Fe2'
_cell_volume   122.46
_cell_formula_units_Z   2
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  0.25  0.0  0.79  1.0
  K  K3  1  0.11  0.0  0.13  1.0
  Fe  Fe0  1  0.59  0.0  0.08  1.0
  Fe  Fe1  1  0.77  0.0  0.83  1.0

data_KFe
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.02
_cell_length_b   4.35
_cell_length_c   9.95
_cell_angle_alpha   94.37
_cell_angle_beta   90.0
_cell_angle_gamma   110.32
_symmetry_Int_Tables_number   2
_chemical_formula_structural   KFe
_chemical_formula_sum   'K2 Fe2'
_cell_volume   122.46
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.0  0.43  0.17  1.0
  Fe  Fe1  2  0.0  0.09  0.87  1.0

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