data_InSiIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   5.12
_cell_angle_alpha   136.46
_cell_angle_beta   136.46
_cell_angle_gamma   63.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InSiIr2
_chemical_formula_sum   'In1 Si1 Ir2'
_cell_volume   62.75
_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  0.9  0.0  0.18  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.0  0.0  0.36  1.0
  Ir  Ir2  1  0.0  0.9  0.18  1.0

data_InSiIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.8
_cell_length_b   3.8
_cell_length_c   5.12
_cell_angle_alpha   111.77
_cell_angle_beta   111.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InSiIr2
_chemical_formula_sum   'In1 Si1 Ir2'
_cell_volume   62.75
_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  0.82  0.0  0.72  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Ir  Ir2  1  0.64  0.0  0.64  1.0
  Ir  Ir3  1  0.72  0.9  0.72  1.0

In Si Ir Ir