data_Zn2AsPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.3
_cell_length_b   6.3
_cell_length_c   6.3
_cell_angle_alpha   154.2
_cell_angle_beta   139.85
_cell_angle_gamma   48.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2AsPt
_chemical_formula_sum   'Zn2 As1 Pt1'
_cell_volume   69.99
_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  Zn2  1  0.0  0.0  0.85  1.0
  Zn  Zn3  1  0.41  0.0  0.06  1.0
  As  As0  1  0.0  0.0  0.3  1.0
  Pt  Pt1  1  0.0  0.16  0.79  1.0

data_Zn2AsPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   4.33
_cell_length_c   6.3
_cell_angle_alpha   110.07
_cell_angle_beta   102.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2AsPt
_chemical_formula_sum   'Zn2 As1 Pt1'
_cell_volume   69.99
_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  Zn0  1  0.15  0.15  0.15  1.0
  Zn  Zn1  1  0.34  0.94  0.34  1.0
  As  As2  1  0.7  0.7  0.7  1.0
  Pt  Pt3  1  0.21  0.37  0.37  1.0

Zn Zn As Pt
Zn Zn As Pt 0 3 o o o 0 1 o o + 0 2 o o + 1 3 o o - 1 2 + o o 2 2 o + + 2 3 o o o 2 3 o - - 
PtZn2As crystallizes in the triclinic P1 space group. Pt(1) is bonded in a distorted single-bond geometry to one Zn(1), two equivalent Zn(2), and two equivalent As(1) atoms. The Pt(1)-Zn(1) bond length is 1.37 Å. There is one shorter (1.88 Å) and one longer (2.54 Å) Pt(1)-Zn(2) bond length. There is one shorter (2.22 Å) and one longer (2.77 Å) Pt(1)-As(1) bond length. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a single-bond geometry to one Pt(1), one Zn(2), and one As(1) atom. The Zn(1)-Zn(2) bond length is 1.76 Å. The Zn(1)-As(1) bond length is 2.84 Å. In the second Zn site, Zn(2) is bonded in a 4-coordinate geometry to two equivalent Pt(1), one Zn(1), and one As(1) atom. The Zn(2)-As(1) bond length is 2.78 Å. As(1) is bonded in a 6-coordinate geometry to two equivalent Pt(1), one Zn(1), one Zn(2), and two equivalent As(1) atoms. Both As(1)-As(1) bond lengths are 2.81 Å.