data_Zr2PtCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.06
_cell_length_b   4.84
_cell_length_c   5.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2PtCl
_chemical_formula_sum   'Zr2 Pt1 Cl1'
_cell_volume   74.74
_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  Zr2  1  0.53  0.42  0.0  1.0
  Zr  Zr3  1  0.53  0.0  0.53  1.0
  Pt  Pt1  1  0.0  0.42  0.53  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Zr2PtCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   4.84
_cell_length_c   5.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2PtCl
_chemical_formula_sum   'Zr2 Pt1 Cl1'
_cell_volume   74.74
_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  0.53  0.0  0.53  1.0
  Zr  Zr1  1  0.53  0.42  0.0  1.0
  Pt  Pt2  1  0.0  0.42  0.53  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Zr Zr Pt Cl
Zr Zr Pt Cl 0 3 o o o 0 3 o + o 0 3 + o o 0 3 + + o 0 2 o o - 0 2 o o o 0 2 + o - 0 2 + o o 0 0 + o o 0 1 o o - 1 2 o - o 1 2 o o o 1 2 + - o 1 2 + o o 1 3 o o o 1 3 o o + 1 3 + o o 1 3 + o + 1 1 + o o 2 2 + o o 2 3 o o + 3 3 + o o 
Zr2PtCl is alpha iridium vanadium-derived structured and crystallizes in the triclinic P1 space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 8-coordinate geometry to four equivalent Pt(1) and four equivalent Cl(1) atoms. There are a spread of Zr(1)-Pt(1) bond distances ranging from 2.79-3.11 Å. There are a spread of Zr(1)-Cl(1) bond distances ranging from 2.49-3.24 Å. In the second Zr site, Zr(2) is bonded in a 8-coordinate geometry to four equivalent Pt(1) and four equivalent Cl(1) atoms. There are a spread of Zr(2)-Pt(1) bond distances ranging from 2.49-3.24 Å. There are a spread of Zr(2)-Cl(1) bond distances ranging from 2.79-3.11 Å. Pt(1) is bonded in a 8-coordinate geometry to four equivalent Zr(1) and four equivalent Zr(2) atoms. Cl(1) is bonded in a 8-coordinate geometry to four equivalent Zr(1) and four equivalent Zr(2) atoms.