data_ZrSn2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.86
_cell_length_b   5.86
_cell_length_c   5.11
_cell_angle_alpha   114.5
_cell_angle_beta   114.5
_cell_angle_gamma   34.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSn2P
_chemical_formula_sum   'Zr1 Sn2 P1'
_cell_volume   88.77
_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  0.89  0.0  0.31  1.0
  Sn  Sn1  1  0.86  0.0  0.38  1.0
  Sn  Sn2  1  0.87  0.0  0.29  1.0
  P  P0  1  0.81  0.0  0.52  1.0

data_ZrSn2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.45
_cell_length_b   5.11
_cell_length_c   5.86
_cell_angle_alpha   114.5
_cell_angle_beta   107.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSn2P
_chemical_formula_sum   'Zr1 Sn2 P1'
_cell_volume   88.77
_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  0.0  0.31  0.89  1.0
  Sn  Sn1  1  0.0  0.29  0.87  1.0
  Sn  Sn2  1  0.0  0.38  0.86  1.0
  P  P3  1  0.0  0.52  0.81  1.0

Zr Sn Sn P
Zr Sn Sn P 0 2 o o o 0 1 o o o 1 2 o o o 1 3 o o o 
ZrSn2P crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one ZrSn2P cluster. Zr(1) is bonded in a distorted single-bond geometry to one Sn(1) and one Sn(2) atom. The Zr(1)-Sn(1) bond length is 0.46 Å. The Zr(1)-Sn(2) bond length is 0.11 Å. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a linear geometry to one Zr(1) and one P(1) atom. The Sn(1)-P(1) bond length is 0.88 Å. In the second Sn site, Sn(2) is bonded in a single-bond geometry to one Zr(1) atom. P(1) is bonded in a single-bond geometry to one Sn(1) atom.