data_InSnIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.0
_cell_length_b   6.92
_cell_length_c   3.19
_cell_angle_alpha   78.16
_cell_angle_beta   75.32
_cell_angle_gamma   26.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InSnIr
_chemical_formula_sum   'In1 Sn1 Ir1'
_cell_volume   66.71
_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
  In  In0  1  0.13  0.38  0.37  1.0
  Sn  Sn2  1  0.13  0.38  0.94  1.0
  Ir  Ir1  1  0.13  0.38  0.85  1.0

data_InSnIr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.26
_cell_length_b   13.17
_cell_length_c   3.19
_cell_angle_alpha   90.0
_cell_angle_beta   131.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   InSnIr
_chemical_formula_sum   'In2 Sn2 Ir2'
_cell_volume   133.42
_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
  In  In0  2  0.12  0.0  0.5  1.0
  Sn  Sn1  2  0.05  0.5  0.93  1.0
  Ir  Ir2  2  0.14  0.5  0.02  1.0

In Sn Ir
In Sn Ir 0 2 o o - 0 2 o o o 0 1 o o - 1 2 o o o 