data_KBeFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.35
_cell_length_b   6.35
_cell_length_c   6.35
_cell_angle_alpha   151.81
_cell_angle_beta   151.81
_cell_angle_gamma   40.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KBeFe
_chemical_formula_sum   'K1 Be1 Fe1'
_cell_volume   56.95
_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  0.0  0.0  0.95  1.0
  Be  Be0  1  0.0  0.0  0.06  1.0
  Fe  Fe1  1  0.0  0.0  0.82  1.0

data_KBeFe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.37
_cell_length_b   4.37
_cell_length_c   6.35
_cell_angle_alpha   90.0
_cell_angle_beta   110.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KBeFe
_chemical_formula_sum   'K2 Be2 Fe2'
_cell_volume   113.9
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.45  0.5  0.95  1.0
  Be  Be1  2  0.06  0.0  0.06  1.0
  Fe  Fe2  2  0.32  0.5  0.82  1.0

K Be Fe
K Be Fe 0 2 o o o 0 1 o o + 
KBeFe is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two KBeFe clusters. K(1) is bonded in a linear geometry to one Be(1) and one Fe(1) atom. The K(1)-Be(1) bond length is 0.71 Å. The K(1)-Fe(1) bond length is 0.80 Å. Be(1) is bonded in a single-bond geometry to one K(1) atom. Fe(1) is bonded in a single-bond geometry to one K(1) atom.