data_AsIr2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33
_cell_length_b   5.33
_cell_length_c   5.13
_cell_angle_alpha   116.4
_cell_angle_beta   116.4
_cell_angle_gamma   31.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsIr2Au
_chemical_formula_sum   'As1 Ir2 Au1'
_cell_volume   67.27
_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  0.23  0.0  0.34  1.0
  Ir  Ir2  1  0.03  0.0  0.91  1.0
  Ir  Ir3  1  0.66  0.0  0.8  1.0
  Au  Au1  1  0.8  0.0  0.33  1.0

data_AsIr2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   5.13
_cell_length_c   5.33
_cell_angle_alpha   116.4
_cell_angle_beta   105.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsIr2Au
_chemical_formula_sum   'As1 Ir2 Au1'
_cell_volume   67.27
_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  0.0  0.34  0.23  1.0
  Ir  Ir1  1  0.0  0.8  0.66  1.0
  Ir  Ir2  1  0.0  0.91  0.03  1.0
  Au  Au3  1  0.0  0.33  0.8  1.0

As Ir Ir Au