data_ZnFePt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.68
_cell_length_b   8.68
_cell_length_c   8.68
_cell_angle_alpha   18.62
_cell_angle_beta   18.62
_cell_angle_gamma   18.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnFePt2
_chemical_formula_sum   'Zn1 Fe1 Pt2'
_cell_volume   58.26
_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
  Zn  Zn3  1  0.0  0.0  0.79  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.0  0.0  0.17  1.0
  Pt  Pt2  1  0.0  0.0  0.42  1.0

data_ZnFePt2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.86
_cell_length_b   2.81
_cell_length_c   8.68
_cell_angle_alpha   90.0
_cell_angle_beta   100.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZnFePt2
_chemical_formula_sum   'Zn2 Fe2 Pt4'
_cell_volume   116.52
_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
  Zn  Zn0  2  -0.0  0.0  0.21  1.0
  Fe  Fe1  2  0.0  0.0  0.0  1.0
  Pt  Pt2  2  -0.0  0.0  0.58  1.0
  Pt  Pt3  2  -0.0  0.0  0.83  1.0

Zn Fe Pt Pt
Zn Fe Pt Pt 0 1 o o + 1 2 o o o 2 3 o o o 3 3 o + - 3 3 + - o 3 3 + o - 
FePt2Zn crystallizes in the monoclinic Cm space group. Fe(1) is bonded in a distorted linear geometry to one Pt(1) and one Zn(1) atom. The Fe(1)-Pt(1) bond length is 1.45 Å. The Fe(1)-Zn(1) bond length is 1.81 Å. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a single-bond geometry to one Fe(1) and one Pt(2) atom. The Pt(1)-Pt(2) bond length is 2.16 Å. In the second Pt site, Pt(2) is bonded in a 8-coordinate geometry to one Pt(1), six equivalent Pt(2), and one Zn(1) atom. All Pt(2)-Pt(2) bond lengths are 2.81 Å. The Pt(2)-Zn(1) bond length is 3.26 Å. Zn(1) is bonded in a single-bond geometry to one Fe(1) and one Pt(2) atom.