data_CrIr2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   4.77
_cell_angle_alpha   99.76
_cell_angle_beta   99.76
_cell_angle_gamma   33.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrIr2Au
_chemical_formula_sum   'Cr1 Ir2 Au1'
_cell_volume   59.08
_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
  Cr  Cr1  1  0.68  0.0  0.63  1.0
  Ir  Ir2  1  0.24  0.0  0.66  1.0
  Ir  Ir3  1  0.58  0.0  0.07  1.0
  Au  Au0  1  0.14  0.0  0.37  1.0

data_CrIr2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.77
_cell_length_b   4.76
_cell_length_c   4.77
_cell_angle_alpha   99.76
_cell_angle_beta   90.0
_cell_angle_gamma   106.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrIr2Au
_chemical_formula_sum   'Cr1 Ir2 Au1'
_cell_volume   59.08
_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
  Cr  Cr0  1  0.0  0.32  0.37  1.0
  Ir  Ir1  1  0.0  0.42  0.93  1.0
  Ir  Ir2  1  0.0  0.76  0.34  1.0
  Au  Au3  1  0.0  0.86  0.63  1.0

Cr Ir Ir Au