data_Co2SnIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.51
_cell_length_b   4.51
_cell_length_c   2.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   105.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2SnIr
_chemical_formula_sum   'Co2 Sn1 Ir1'
_cell_volume   55.25
_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
  Co  Co0  1  0.36  0.8  0.41  1.0
  Co  Co1  1  0.36  0.2  0.41  1.0
  Sn  Sn3  1  0.0  0.0  0.0  1.0
  Ir  Ir2  1  0.72  0.0  0.0  1.0

data_Co2SnIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   4.51
_cell_length_c   4.51
_cell_angle_alpha   105.64
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2SnIr
_chemical_formula_sum   'Co2 Sn1 Ir1'
_cell_volume   55.25
_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
  Co  Co0  1  0.41  0.36  0.2  1.0
  Co  Co1  1  0.41  0.36  0.8  1.0
  Sn  Sn2  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.0  0.72  0.0  1.0

Co Co Sn Ir
IrCo2Sn crystallizes in the triclinic P1 space group. Ir(1) is bonded in a 1-coordinate geometry to two equivalent Co(1), two equivalent Co(2), and one Sn(1) atom. There is one shorter (2.01 Å) and one longer (2.34 Å) Ir(1)-Co(1) bond length. There is one shorter (2.38 Å) and one longer (2.66 Å) Ir(1)-Co(2) bond length. The Ir(1)-Sn(1) bond length is 1.24 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 3-coordinate geometry to two equivalent Ir(1) and two equivalent Co(2) atoms. There is one shorter (1.84 Å) and one longer (2.67 Å) Co(1)-Co(2) bond length. In the second Co site, Co(2) is bonded in a 6-coordinate geometry to two equivalent Ir(1), two equivalent Co(1), and two equivalent Sn(1) atoms. There is one shorter (2.01 Å) and one longer (2.34 Å) Co(2)-Sn(1) bond length. Sn(1) is bonded in a distorted single-bond geometry to one Ir(1) and two equivalent Co(2) atoms.