data_Zr2CoSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.22
_cell_length_b   3.22
_cell_length_c   7.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2CoSn
_chemical_formula_sum   'Zr2 Co1 Sn1'
_cell_volume   78.09
_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  0.0  0.0  0.01  1.0
  Zr  Zr3  1  0.26  0.0  0.28  1.0
  Co  Co0  1  0.0  0.0  0.77  1.0
  Sn  Sn1  1  0.26  0.0  0.21  1.0

data_Zr2CoSn
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.22
_cell_length_b   3.22
_cell_length_c   7.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Zr2CoSn
_chemical_formula_sum   'Zr2 Co1 Sn1'
_cell_volume   78.1
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.0  0.01  1.0
  Zr  Zr1  1  0.26  0.0  0.28  1.0
  Co  Co2  1  0.0  0.0  0.77  1.0
  Sn  Sn3  1  0.26  0.0  0.21  1.0

Zr Zr Co Sn
Zr2CoSn crystallizes in the monoclinic Pm space group. The structure is zero-dimensional and consists of one Zr2CoSn cluster. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a distorted bent 150 degrees geometry to one Co(1) and one Sn(1) atom. The Zr(1)-Co(1) bond length is 1.79 Å. The Zr(1)-Sn(1) bond length is 1.71 Å. In the second Zr site, Zr(2) is bonded in a single-bond geometry to one Sn(1) atom. The Zr(2)-Sn(1) bond length is 0.55 Å. Co(1) is bonded in a single-bond geometry to one Zr(1) atom. Sn(1) is bonded in a distorted single-bond geometry to one Zr(1) and one Zr(2) atom.