data_BaSnIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   5.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSnIr
_chemical_formula_sum   'Ba1 Sn1 Ir1'
_cell_volume   90.2
_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
  Ba  Ba0  1  1.0  0.62  0.06  1.0
  Sn  Sn2  1  0.0  0.0  0.57  1.0
  Ir  Ir1  1  0.27  0.31  0.43  1.0

data_BaSnIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   5.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSnIr
_chemical_formula_sum   'Ba1 Sn1 Ir1'
_cell_volume   90.2
_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
  Ba  Ba0  1  1.0  0.62  0.06  1.0
  Sn  Sn1  1  0.0  0.0  0.57  1.0
  Ir  Ir2  1  0.27  0.31  0.43  1.0

Ba Sn Ir
Ba Sn Ir 0 2 o o o 0 2 + + o 0 2 + o o 0 1 + + - 0 1 + + o 1 2 o o o 
BaIrSn crystallizes in the triclinic P1 space group. Ba(1) is bonded in a 6-coordinate geometry to three equivalent Ir(1) and three equivalent Sn(1) atoms. There are a spread of Ba(1)-Ir(1) bond distances ranging from 2.94-3.44 Å. There are a spread of Ba(1)-Sn(1) bond distances ranging from 3.04-3.76 Å. Ir(1) is bonded in a 2-coordinate geometry to three equivalent Ba(1) and one Sn(1) atom. The Ir(1)-Sn(1) bond length is 1.49 Å. Sn(1) is bonded in a 1-coordinate geometry to three equivalent Ba(1) and one Ir(1) atom.