data_BaSnIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.05
_cell_length_b   3.95
_cell_length_c   7.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSnIr2
_chemical_formula_sum   'Ba1 Sn1 Ir2'
_cell_volume   91.79
_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  0.52  0.98  0.98  1.0
  Sn  Sn3  1  0.0  0.0  0.24  1.0
  Ir  Ir1  1  0.0  0.0  0.58  1.0
  Ir  Ir2  1  0.52  0.98  0.64  1.0

data_BaSnIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   3.95
_cell_length_c   7.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSnIr2
_chemical_formula_sum   'Ba1 Sn1 Ir2'
_cell_volume   91.79
_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  0.52  0.98  0.98  1.0
  Sn  Sn1  1  0.0  0.0  0.24  1.0
  Ir  Ir2  1  0.0  0.0  0.58  1.0
  Ir  Ir3  1  0.52  0.98  0.64  1.0

Ba Sn Ir Ir