data_ZrV2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.19
_cell_length_b   3.19
_cell_length_c   6.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrV2Pt
_chemical_formula_sum   'Zr1 V2 Pt1'
_cell_volume   64.65
_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  0.0  0.15  1.0
  V  V1  1  0.0  0.0  0.12  1.0
  V  V2  1  0.59  0.59  0.39  1.0
  Pt  Pt0  1  0.59  0.59  0.88  1.0

data_ZrV2Pt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.51
_cell_length_b   4.51
_cell_length_c   6.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrV2Pt
_chemical_formula_sum   'Zr2 V4 Pt2'
_cell_volume   129.29
_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
  Zr  Zr0  2  0.0  0.0  0.15  1.0
  V  V1  2  0.0  0.0  0.12  1.0
  V  V2  2  0.09  0.5  0.39  1.0
  Pt  Pt3  2  0.09  0.5  0.88  1.0

Zr V V Pt
Zr V V Pt 0 1 o o o 0 2 o o o 0 2 o - o 0 2 - o o 0 2 - - o 0 3 o o - 0 3 o - - 0 3 - o - 0 3 - - - 1 2 o o o 1 2 o - o 1 2 - o o 1 2 - - o 1 3 o o - 1 3 o - - 1 3 - o - 1 3 - - - 2 2 + o o 2 2 o + o 2 3 o o o 2 3 o o - 3 3 + o o 3 3 o + o 
ZrV2Pt crystallizes in the monoclinic Cm space group. Zr(1) is bonded in a single-bond geometry to one V(1) and three equivalent V(2) atoms. The Zr(1)-V(1) bond length is 0.16 Å. There is one shorter (2.38 Å) and two longer (2.75 Å) Zr(1)-V(2) bond lengths. There are two inequivalent V sites. In the first V site, V(1) is bonded in a single-bond geometry to one Zr(1) and four equivalent Pt(1) atoms. There are a spread of V(1)-Pt(1) bond distances ranging from 2.39-3.09 Å. In the second V site, V(2) is bonded in a 4-coordinate geometry to three equivalent Zr(1) and one Pt(1) atom. The V(2)-Pt(1) bond length is 3.14 Å. Pt(1) is bonded in a 5-coordinate geometry to one V(2) and four equivalent V(1) atoms.