The material structure described by ZrSn crystallizes in the orthorhombic Pmmn space group. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to two equivalent Zr(3), four equivalent Zr(2), two equivalent Sn(2), and four equivalent Sn(1) atoms to form distorted ZrZr6Sn6 cuboctahedra that share corners with two equivalent Zr(3)Zr6Sn6 cuboctahedra, corners with eight equivalent Sn(2)Zr6Sn6 cuboctahedra, corners with eight equivalent Sn(1)Zr7Sn5 cuboctahedra, edges with two equivalent Zr(1)Zr6Sn6 cuboctahedra, edges with four equivalent Sn(2)Zr6Sn6 cuboctahedra, edges with four equivalent Sn(1)Zr7Sn5 cuboctahedra, edges with eight equivalent Zr(2)Zr5Sn7 cuboctahedra, faces with two equivalent Zr(1)Zr6Sn6 cuboctahedra, faces with four equivalent Zr(2)Zr5Sn7 cuboctahedra, faces with four equivalent Zr(3)Zr6Sn6 cuboctahedra, faces with four equivalent Sn(1)Zr7Sn5 cuboctahedra, and faces with six equivalent Sn(2)Zr6Sn6 cuboctahedra. In the second Zr site, Zr(2) is bonded to one Zr(2), two equivalent Zr(1), two equivalent Zr(3), three equivalent Sn(1), and four equivalent Sn(2) atoms to form distorted ZrZr5Sn7 cuboctahedra that share corners with four equivalent Zr(2)Zr5Sn7 cuboctahedra, corners with four equivalent Zr(3)Zr6Sn6 cuboctahedra, corners with four equivalent Sn(2)Zr6Sn6 cuboctahedra, corners with six equivalent Sn(1)Zr7Sn5 cuboctahedra, edges with two equivalent Zr(3)Zr6Sn6 cuboctahedra, edges with two equivalent Sn(1)Zr7Sn5 cuboctahedra, edges with four equivalent Zr(2)Zr5Sn7 cuboctahedra, edges with four equivalent Zr(1)Zr6Sn6 cuboctahedra, edges with six equivalent Sn(2)Zr6Sn6 cuboctahedra, faces with two equivalent Zr(1)Zr6Sn6 cuboctahedra, faces with two equivalent Zr(3)Zr6Sn6 cuboctahedra, faces with four equivalent Sn(2)Zr6Sn6 cuboctahedra, faces with five equivalent Zr(2)Zr5Sn7 cuboctahedra, and faces with seven equivalent Sn(1)Zr7Sn5 cuboctahedra. In the third Zr site, Zr(3) is bonded to two equivalent Zr(1), four equivalent Zr(2), two equivalent Sn(2), and four equivalent Sn(1) atoms to form distorted ZrZr6Sn6 cuboctahedra that share corners with two equivalent Zr(1)Zr6Sn6 cuboctahedra, corners with eight equivalent Zr(2)Zr5Sn7 cuboctahedra, corners with eight equivalent Sn(2)Zr6Sn6 cuboctahedra, edges with two equivalent Zr(3)Zr6Sn6 cuboctahedra, edges with four equivalent Zr(2)Zr5Sn7 cuboctahedra, edges with four equivalent Sn(2)Zr6Sn6 cuboctahedra, edges with eight equivalent Sn(1)Zr7Sn5 cuboctahedra, faces with two equivalent Zr(3)Zr6Sn6 cuboctahedra, faces with four equivalent Zr(2)Zr5Sn7 cuboctahedra, faces with four equivalent Zr(1)Zr6Sn6 cuboctahedra, faces with four equivalent Sn(1)Zr7Sn5 cuboctahedra, and faces with six equivalent Sn(2)Zr6Sn6 cuboctahedra. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to two equivalent Zr(1), two equivalent Zr(3), three equivalent Zr(2), one Sn(1), and four equivalent Sn(2) atoms to form distorted SnZr7Sn5 cuboctahedra that share corners with four equivalent Zr(1)Zr6Sn6 cuboctahedra, corners with four equivalent Sn(2)Zr6Sn6 cuboctahedra, corners with four equivalent Sn(1)Zr7Sn5 cuboctahedra, corners with six equivalent Zr(2)Zr5Sn7 cuboctahedra, edges with two equivalent Zr(2)Zr5Sn7 cuboctahedra, edges with two equivalent Zr(1)Zr6Sn6 cuboctahedra, edges with four equivalent Zr(3)Zr6Sn6 cuboctahedra, edges with four equivalent Sn(1)Zr7Sn5 cuboctahedra, edges with six equivalent Sn(2)Zr6Sn6 cuboctahedra, faces with two equivalent Zr(1)Zr6Sn6 cuboctahedra, faces with two equivalent Zr(3)Zr6Sn6 cuboctahedra, faces with four equivalent Sn(2)Zr6Sn6 cuboctahedra, faces with five equivalent Sn(1)Zr7Sn5 cuboctahedra, and faces with seven equivalent Zr(2)Zr5Sn7 cuboctahedra. In the second Sn site, Sn(2) is bonded to one Zr(1), one Zr(3), four equivalent Zr(2), two equivalent Sn(2), and four equivalent Sn(1) atoms to form distorted SnZr6Sn6 cuboctahedra that share corners with two equivalent Sn(2)Zr6Sn6 cuboctahedra, corners with four equivalent Zr(2)Zr5Sn7 cuboctahedra, corners with four equivalent Zr(1)Zr6Sn6 cuboctahedra, corners with four equivalent Zr(3)Zr6Sn6 cuboctahedra, corners with four equivalent Sn(1)Zr7Sn5 cuboctahedra, edges with two equivalent Zr(1)Zr6Sn6 cuboctahedra, edges with two equivalent Zr(3)Zr6Sn6 cuboctahedra, edges with two equivalent Sn(2)Zr6Sn6 cuboctahedra, edges with six equivalent Zr(2)Zr5Sn7 cuboctahedra, edges with six equivalent Sn(1)Zr7Sn5 cuboctahedra, faces with three equivalent Zr(1)Zr6Sn6 cuboctahedra, faces with three equivalent Zr(3)Zr6Sn6 cuboctahedra, faces with four equivalent Zr(2)Zr5Sn7 cuboctahedra, faces with four equivalent Sn(1)Zr7Sn5 cuboctahedra, and faces with six equivalent Sn(2)Zr6Sn6 cuboctahedra. is represented by the CIF file [CIF]
data_ZrSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.318
_cell_length_b   5.604
_cell_length_c   12.601
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   375.552
_cell_formula_units_Z   8
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  0.000  0.678  0.000  1.0
  Zr  Zr1  1  0.000  0.167  0.375  1.0
  Zr  Zr2  1  0.000  0.661  0.500  1.0
  Zr  Zr3  1  0.000  0.167  0.625  1.0
  Zr  Zr4  1  0.500  0.339  0.000  1.0
  Zr  Zr5  1  0.500  0.833  0.125  1.0
  Zr  Zr6  1  0.500  0.322  0.500  1.0
  Zr  Zr7  1  0.500  0.833  0.875  1.0
  Sn  Sn8  1  0.000  0.167  0.123  1.0
  Sn  Sn9  1  0.000  0.660  0.250  1.0
  Sn  Sn10  1  0.000  0.660  0.750  1.0
  Sn  Sn11  1  0.000  0.167  0.877  1.0
  Sn  Sn12  1  0.500  0.340  0.250  1.0
  Sn  Sn13  1  0.500  0.833  0.377  1.0
  Sn  Sn14  1  0.500  0.833  0.623  1.0
  Sn  Sn15  1  0.500  0.340  0.750  1.0
[/CIF]
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The material structure described by ZrSn crystallizes in the orthorhombic Pmmn space group. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to two equivalent Zr(3), four equivalent Zr(2), two equivalent Sn(2), and four equivalent Sn(1) atoms to form distorted ZrZr6Sn6 cuboctahedra that share corners with two equivalent Zr(3)Zr6Sn6 cuboctahedra, corners with eight equivalent Sn(2)Zr6Sn6 cuboctahedra, corners with eight equivalent Sn(1)Zr7Sn5 cuboctahedra, edges with two equivalent Zr(1)Zr6Sn6 cuboctahedra, edges with four equivalent Sn(2)Zr6Sn6 cuboctahedra, edges with four equivalent Sn(1)Zr7Sn5 cuboctahedra, edges with eight equivalent Zr(2)Zr5Sn7 cuboctahedra, faces with two equivalent Zr(1)Zr6Sn6 cuboctahedra, faces with four equivalent Zr(2)Zr5Sn7 cuboctahedra, faces with four equivalent Zr(3)Zr6Sn6 cuboctahedra, faces with four equivalent Sn(1)Zr7Sn5 cuboctahedra, and faces with six equivalent Sn(2)Zr6Sn6 cuboctahedra. In the second Zr site, Zr(2) is bonded to one Zr(2), two equivalent Zr(1), two equivalent Zr(3), three equivalent Sn(1), and four equivalent Sn(2) atoms to form distorted ZrZr5Sn7 cuboctahedra that share corners with four equivalent Zr(2)Zr5Sn7 cuboctahedra, corners with four equivalent Zr(3)Zr6Sn6 cuboctahedra, corners with four equivalent Sn(2)Zr6Sn6 cuboctahedra, corners with six equivalent Sn(1)Zr7Sn5 cuboctahedra, edges with two equivalent Zr(3)Zr6Sn6 cuboctahedra, edges with two equivalent Sn(1)Zr7Sn5 cuboctahedra, edges with four equivalent Zr(2)Zr5Sn7 cuboctahedra, edges with four equivalent Zr(1)Zr6Sn6 cuboctahedra, edges with six equivalent Sn(2)Zr6Sn6 cuboctahedra, faces with two equivalent Zr(1)Zr6Sn6 cuboctahedra, faces with two equivalent Zr(3)Zr6Sn6 cuboctahedra, faces with four equivalent Sn(2)Zr6Sn6 cuboctahedra, faces with five equivalent Zr(2)Zr5Sn7 cuboctahedra, and faces with seven equivalent Sn(1)Zr7Sn5 cuboctahedra. In the third Zr site, Zr(3) is bonded to two equivalent Zr(1), four equivalent Zr(2), two equivalent Sn(2), and four equivalent Sn(1) atoms to form distorted ZrZr6Sn6 cuboctahedra that share corners with two equivalent Zr(1)Zr6Sn6 cuboctahedra, corners with eight equivalent Zr(2)Zr5Sn7 cuboctahedra, corners with eight equivalent Sn(2)Zr6Sn6 cuboctahedra, edges with two equivalent Zr(3)Zr6Sn6 cuboctahedra, edges with four equivalent Zr(2)Zr5Sn7 cuboctahedra, edges with four equivalent Sn(2)Zr6Sn6 cuboctahedra, edges with eight equivalent Sn(1)Zr7Sn5 cuboctahedra, faces with two equivalent Zr(3)Zr6Sn6 cuboctahedra, faces with four equivalent Zr(2)Zr5Sn7 cuboctahedra, faces with four equivalent Zr(1)Zr6Sn6 cuboctahedra, faces with four equivalent Sn(1)Zr7Sn5 cuboctahedra, and faces with six equivalent Sn(2)Zr6Sn6 cuboctahedra. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to two equivalent Zr(1), two equivalent Zr(3), three equivalent Zr(2), one Sn(1), and four equivalent Sn(2) atoms to form distorted SnZr7Sn5 cuboctahedra that share corners with four equivalent Zr(1)Zr6Sn6 cuboctahedra, corners with four equivalent Sn(2)Zr6Sn6 cuboctahedra, corners with four equivalent Sn(1)Zr7Sn5 cuboctahedra, corners with six equivalent Zr(2)Zr5Sn7 cuboctahedra, edges with two equivalent Zr(2)Zr5Sn7 cuboctahedra, edges with two equivalent Zr(1)Zr6Sn6 cuboctahedra, edges with four equivalent Zr(3)Zr6Sn6 cuboctahedra, edges with four equivalent Sn(1)Zr7Sn5 cuboctahedra, edges with six equivalent Sn(2)Zr6Sn6 cuboctahedra, faces with two equivalent Zr(1)Zr6Sn6 cuboctahedra, faces with two equivalent Zr(3)Zr6Sn6 cuboctahedra, faces with four equivalent Sn(2)Zr6Sn6 cuboctahedra, faces with five equivalent Sn(1)Zr7Sn5 cuboctahedra, and faces with seven equivalent Zr(2)Zr5Sn7 cuboctahedra. In the second Sn site, Sn(2) is bonded to one Zr(1), one Zr(3), four equivalent Zr(2), two equivalent Sn(2), and four equivalent Sn(1) atoms to form distorted SnZr6Sn6 cuboctahedra that share corners with two equivalent Sn(2)Zr6Sn6 cuboctahedra, corners with four equivalent Zr(2)Zr5Sn7 cuboctahedra, corners with four equivalent Zr(1)Zr6Sn6 cuboctahedra, corners with four equivalent Zr(3)Zr6Sn6 cuboctahedra, corners with four equivalent Sn(1)Zr7Sn5 cuboctahedra, edges with two equivalent Zr(1)Zr6Sn6 cuboctahedra, edges with two equivalent Zr(3)Zr6Sn6 cuboctahedra, edges with two equivalent Sn(2)Zr6Sn6 cuboctahedra, edges with six equivalent Zr(2)Zr5Sn7 cuboctahedra, edges with six equivalent Sn(1)Zr7Sn5 cuboctahedra, faces with three equivalent Zr(1)Zr6Sn6 cuboctahedra, faces with three equivalent Zr(3)Zr6Sn6 cuboctahedra, faces with four equivalent Zr(2)Zr5Sn7 cuboctahedra, faces with four equivalent Sn(1)Zr7Sn5 cuboctahedra, and faces with six equivalent Sn(2)Zr6Sn6 cuboctahedra. is represented by the CIF file [CIF]
data_ZrSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.318
_cell_length_b   5.604
_cell_length_c   12.601
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   375.552
_cell_formula_units_Z   8
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  0.000  0.678  0.000  1.0
  Zr  Zr1  1  0.000  0.167  0.375  1.0
  Zr  Zr2  1  0.000  0.661  0.500  1.0
  Zr  Zr3  1  0.000  0.167  0.625  1.0
  Zr  Zr4  1  0.500  0.339  0.000  1.0
  Zr  Zr5  1  0.500  0.833  0.125  1.0
  Zr  Zr6  1  0.500  0.322  0.500  1.0
  Zr  Zr7  1  0.500  0.833  0.875  1.0
  Sn  Sn8  1  0.000  0.167  0.123  1.0
  Sn  Sn9  1  0.000  0.660  0.250  1.0
  Sn  Sn10  1  0.000  0.660  0.750  1.0
  Sn  Sn11  1  0.000  0.167  0.877  1.0
  Sn  Sn12  1  0.500  0.340  0.250  1.0
  Sn  Sn13  1  0.500  0.833  0.377  1.0
  Sn  Sn14  1  0.500  0.833  0.623  1.0
  Sn  Sn15  1  0.500  0.340  0.750  1.0
[/CIF]
.