data_AsIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.65
_cell_length_b   3.8
_cell_length_c   6.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsIr
_chemical_formula_sum   'As4 Ir4'
_cell_volume   130.96
_cell_formula_units_Z   4
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
  As  As0  1  0.57  0.95  0.54  1.0
  As  As1  1  0.91  0.85  0.5  1.0
  As  As2  1  0.74  0.95  0.59  1.0
  As  As3  1  0.08  0.85  0.55  1.0
  Ir  Ir4  1  0.64  0.95  0.84  1.0
  Ir  Ir5  1  0.84  0.85  0.89  1.0
  Ir  Ir6  1  0.81  0.95  0.2  1.0
  Ir  Ir7  1  0.01  0.85  0.25  1.0

data_AsIr
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.8
_cell_length_b   5.65
_cell_length_c   6.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   AsIr
_chemical_formula_sum   'As4 Ir4'
_cell_volume   130.96
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  As  As0  2  0.05  0.74  1.0  1.0
  As  As1  2  0.05  0.92  0.05  1.0
  Ir  Ir2  2  0.05  0.81  0.3  1.0
  Ir  Ir3  2  0.05  0.99  0.66  1.0

As As As As Ir Ir Ir Ir