data_ZrMnPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   5.06
_cell_angle_alpha   133.94
_cell_angle_beta   133.94
_cell_angle_gamma   67.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrMnPt2
_chemical_formula_sum   'Zr1 Mn1 Pt2'
_cell_volume   66.25
_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
  Zr  Zr3  1  0.0  0.98  0.11  1.0
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.98  0.0  0.11  1.0
  Pt  Pt2  1  0.0  0.0  0.22  1.0

data_ZrMnPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.96
_cell_length_b   3.96
_cell_length_c   5.06
_cell_angle_alpha   113.03
_cell_angle_beta   113.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrMnPt2
_chemical_formula_sum   'Zr1 Mn1 Pt2'
_cell_volume   66.25
_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
  Zr  Zr0  1  0.87  0.98  0.87  1.0
  Mn  Mn1  1  0.0  0.0  0.0  1.0
  Pt  Pt2  1  0.78  0.0  0.78  1.0
  Pt  Pt3  1  0.89  0.0  0.87  1.0

Zr Mn Pt Pt
Zr Mn Pt Pt 0 2 - + o 0 1 o + o 0 3 o + o 1 2 - o o 2 3 + o o 
ZrMnPt2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one ZrMnPt2 cluster. Zr(1) is bonded in a single-bond geometry to one Mn(1), one Pt(1), and one Pt(2) atom. The Zr(1)-Mn(1) bond length is 0.62 Å. The Zr(1)-Pt(1) bond length is 0.11 Å. The Zr(1)-Pt(2) bond length is 0.49 Å. Mn(1) is bonded in a 2-coordinate geometry to one Zr(1) and one Pt(1) atom. The Mn(1)-Pt(1) bond length is 0.62 Å. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a single-bond geometry to one Zr(1) and one Mn(1) atom. In the second Pt site, Pt(2) is bonded in a distorted single-bond geometry to one Zr(1) atom.