data_Zr2InSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.47
_cell_length_b   5.47
_cell_length_c   5.47
_cell_angle_alpha   131.01
_cell_angle_beta   131.01
_cell_angle_gamma   71.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2InSn
_chemical_formula_sum   'Zr2 In1 Sn1'
_cell_volume   91.0
_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  0.27  0.0  0.21  1.0
  Zr  Zr3  1  0.0  0.27  0.21  1.0
  In  In0  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.0  0.0  0.43  1.0

data_Zr2InSn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.41
_cell_length_b   6.41
_cell_length_c   5.47
_cell_angle_alpha   90.0
_cell_angle_beta   125.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Zr2InSn
_chemical_formula_sum   'Zr4 In2 Sn2'
_cell_volume   182.01
_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  4  0.42  0.37  0.05  1.0
  In  In1  2  0.0  0.0  0.0  1.0
  Sn  Sn2  2  0.07  0.5  0.57  1.0

Zr Zr In Sn
Zr Zr In Sn 0 2 o o o 0 3 o o o 1 2 o o o 1 3 o o o 2 3 o o o 
Zr2InSn crystallizes in the monoclinic Cm space group. Zr(1) is bonded in a single-bond geometry to one In(1) and two equivalent Sn(1) atoms. The Zr(1)-In(1) bond length is 1.12 Å. There is one shorter (2.39 Å) and one longer (3.36 Å) Zr(1)-Sn(1) bond length. In(1) is bonded in a water-like geometry to two equivalent Zr(1) and two equivalent Sn(1) atoms. There is one shorter (2.34 Å) and one longer (3.12 Å) In(1)-Sn(1) bond length. Sn(1) is bonded in a 6-coordinate geometry to four equivalent Zr(1) and two equivalent In(1) atoms.