data_MoIrAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   4.99
_cell_angle_alpha   99.41
_cell_angle_beta   99.41
_cell_angle_gamma   33.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoIrAu2
_chemical_formula_sum   'Mo1 Ir1 Au2'
_cell_volume   65.57
_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
  Mo  Mo3  1  0.84  0.0  0.36  1.0
  Ir  Ir2  1  0.23  0.0  0.32  1.0
  Au  Au0  1  0.18  0.0  0.89  1.0
  Au  Au1  1  0.67  0.0  0.72  1.0

data_MoIrAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   4.89
_cell_length_c   4.99
_cell_angle_alpha   99.41
_cell_angle_beta   90.0
_cell_angle_gamma   106.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoIrAu2
_chemical_formula_sum   'Mo1 Ir1 Au2'
_cell_volume   65.57
_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
  Mo  Mo0  1  0.0  0.16  0.64  1.0
  Ir  Ir1  1  0.0  0.77  0.68  1.0
  Au  Au2  1  0.0  0.33  0.28  1.0
  Au  Au3  1  0.0  0.82  0.11  1.0

Mo Ir Au Au