data_KFe2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   2.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KFe2Re
_chemical_formula_sum   'K1 Fe2 Re1'
_cell_volume   65.84
_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  0.0  1.0
  Fe  Fe0  1  0.52  0.0  0.3  1.0
  Fe  Fe1  1  0.0  0.52  0.3  1.0
  Re  Re3  1  0.52  0.52  0.0  1.0

data_KFe2Re
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.12
_cell_length_b   7.12
_cell_length_c   2.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KFe2Re
_chemical_formula_sum   'K2 Fe4 Re2'
_cell_volume   131.68
_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  0.0  0.0  0.0  1.0
  Fe  Fe1  4  0.26  0.26  0.3  1.0
  Re  Re2  2  0.02  0.5  0.0  1.0

K Fe Fe Re
KReFe2 crystallizes in the monoclinic Cm space group. K(1) is bonded in a 4-coordinate geometry to four equivalent Fe(1) atoms. There are two shorter (2.55 Å) and two longer (2.72 Å) K(1)-Fe(1) bond lengths. Re(1) is bonded in a 6-coordinate geometry to two equivalent Re(1) and four equivalent Fe(1) atoms. Both Re(1)-Re(1) bond lengths are 2.60 Å. There are two shorter (2.55 Å) and two longer (2.72 Å) Re(1)-Fe(1) bond lengths. Fe(1) is bonded in a 2-coordinate geometry to two equivalent K(1) and two equivalent Re(1) atoms.