data_SiAsIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   5.17
_cell_angle_alpha   138.8
_cell_angle_beta   138.8
_cell_angle_gamma   59.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiAsIr2
_chemical_formula_sum   'Si1 As1 Ir2'
_cell_volume   59.34
_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
  Si  Si3  1  0.0  0.0  0.0  1.0
  As  As0  1  0.82  0.0  0.24  1.0
  Ir  Ir1  1  0.0  0.0  0.48  1.0
  Ir  Ir2  1  0.0  0.82  0.24  1.0

data_SiAsIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.64
_cell_length_b   3.64
_cell_length_c   5.17
_cell_angle_alpha   110.6
_cell_angle_beta   110.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiAsIr2
_chemical_formula_sum   'Si1 As1 Ir2'
_cell_volume   59.34
_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
  Si  Si0  1  0.0  0.0  0.0  1.0
  As  As1  1  0.24  0.42  0.42  1.0
  Ir  Ir2  1  0.42  0.24  0.42  1.0
  Ir  Ir3  1  0.48  0.48  0.48  1.0

Si As Ir Ir