data_KFe2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.8
_cell_length_b   2.8
_cell_length_c   8.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KFe2Pt
_chemical_formula_sum   'K1 Fe2 Pt1'
_cell_volume   65.37
_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  0.14  1.0
  Fe  Fe0  1  0.0  0.0  0.24  1.0
  Fe  Fe1  1  0.4  0.4  0.38  1.0
  Pt  Pt3  1  0.4  0.4  0.78  1.0

data_KFe2Pt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.95
_cell_length_b   3.95
_cell_length_c   8.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KFe2Pt
_chemical_formula_sum   'K2 Fe4 Pt2'
_cell_volume   130.74
_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  0.14  1.0
  Fe  Fe1  2  0.0  0.0  0.24  1.0
  Fe  Fe2  2  0.4  0.0  0.38  1.0
  Pt  Pt3  2  0.4  0.0  0.78  1.0

K Fe Fe Pt
K Fe Fe Pt 0 1 o o o 0 2 o o o 1 2 o o o 1 2 o - o 1 2 - o o 1 2 - - o 2 3 o o o 3 3 + o o 3 3 o + o 
KFe2Pt crystallizes in the monoclinic Cm space group. K(1) is bonded in a single-bond geometry to one Fe(1) and four equivalent Pt(1) atoms. The K(1)-Fe(1) bond length is 0.81 Å. There are a spread of K(1)-Pt(1) bond distances ranging from 3.41-3.85 Å. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a single-bond geometry to one K(1) and four Fe(2,2) atoms. There are a spread of Fe(1)-Fe(2,2) bond distances ranging from 1.99-2.68 Å. In the second Fe site, Fe(2) is bonded in a 9-coordinate geometry to four equivalent Fe(1), four equivalent Fe(2), and one Pt(1) atom. All Fe(2)-Fe(2) bond lengths are 2.80 Å. The Fe(2)-Pt(1) bond length is 3.30 Å. In the third Fe site, Fe(2) is bonded in a 9-coordinate geometry to four equivalent Fe(1), four equivalent Fe(2), and one Pt(1) atom. The Fe(2)-Pt(1) bond length is 3.30 Å. Pt(1) is bonded in a 9-coordinate geometry to four equivalent K(1), one Fe(2), and four equivalent Pt(1) atoms. All Pt(1)-Pt(1) bond lengths are 2.80 Å.