data_Sn2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   8.12
_cell_angle_alpha   97.43
_cell_angle_beta   97.43
_cell_angle_gamma   46.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2Ir
_chemical_formula_sum   'Sn4 Ir2'
_cell_volume   139.54
_cell_formula_units_Z   2
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
  Sn  Sn2  1  0.93  0.0  0.02  1.0
  Sn  Sn3  1  0.24  0.0  0.22  1.0
  Sn  Sn4  1  0.38  0.0  0.53  1.0
  Sn  Sn5  1  1.0  0.0  0.05  1.0
  Ir  Ir0  1  0.16  0.0  0.26  1.0
  Ir  Ir1  1  0.58  0.0  0.71  1.0

data_Sn2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.85
_cell_length_b   4.9
_cell_length_c   8.12
_cell_angle_alpha   97.43
_cell_angle_beta   90.0
_cell_angle_gamma   113.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2Ir
_chemical_formula_sum   'Sn4 Ir2'
_cell_volume   139.54
_cell_formula_units_Z   2
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
  Sn  Sn0  1  0.0  0.0  0.95  1.0
  Sn  Sn1  1  0.0  0.07  0.98  1.0
  Sn  Sn2  1  0.0  0.62  0.47  1.0
  Sn  Sn3  1  0.0  0.76  0.78  1.0
  Ir  Ir4  1  0.0  0.42  0.29  1.0
  Ir  Ir5  1  0.0  0.84  0.74  1.0

Sn Sn Sn Sn Ir Ir