data_As2IrOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.48
_cell_length_b   4.48
_cell_length_c   3.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   94.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   As2IrOs
_chemical_formula_sum   'As2 Ir1 Os1'
_cell_volume   61.09
_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
  As  As0  1  0.52  0.65  0.53  1.0
  As  As1  1  0.52  0.35  0.53  1.0
  Ir  Ir2  1  0.03  0.0  0.0  1.0
  Os  Os3  1  0.0  0.0  0.0  1.0

data_As2IrOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   4.48
_cell_length_c   4.48
_cell_angle_alpha   94.83
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   As2IrOs
_chemical_formula_sum   'As2 Ir1 Os1'
_cell_volume   61.09
_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
  As  As0  1  0.53  0.52  0.35  1.0
  As  As1  1  0.53  0.52  0.65  1.0
  Os  Os2  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.0  0.03  0.0  1.0

As As Ir Os