data_K2CrFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.06
_cell_length_b   6.06
_cell_length_c   2.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   124.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2CrFe
_chemical_formula_sum   'K2 Cr1 Fe1'
_cell_volume   81.8
_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  0.41  0.32  0.35  1.0
  K  K3  1  0.41  0.68  0.35  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Fe  Fe1  1  0.82  0.0  0.0  1.0

data_K2CrFe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.7
_cell_length_b   5.64
_cell_length_c   6.06
_cell_angle_alpha   117.71
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2CrFe
_chemical_formula_sum   'K2 Cr1 Fe1'
_cell_volume   81.8
_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  0.35  0.32  0.73  1.0
  K  K1  1  0.35  0.68  0.09  1.0
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  Fe  Fe3  1  0.0  0.0  0.82  1.0

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