data_CoIr2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.72
_cell_length_b   4.63
_cell_length_c   4.77
_cell_angle_alpha   90.0
_cell_angle_beta   91.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoIr2Au
_chemical_formula_sum   'Co1 Ir2 Au1'
_cell_volume   60.02
_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
  Co  Co1  1  0.0  0.0  0.0  1.0
  Ir  Ir2  1  0.07  0.31  0.12  1.0
  Ir  Ir3  1  0.55  0.31  0.65  1.0
  Au  Au0  1  0.31  0.0  0.39  1.0

data_CoIr2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.72
_cell_length_b   4.63
_cell_length_c   4.77
_cell_angle_alpha   90.0
_cell_angle_beta   91.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoIr2Au
_chemical_formula_sum   'Co1 Ir2 Au1'
_cell_volume   60.02
_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
  Co  Co0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.07  0.31  0.12  1.0
  Ir  Ir2  1  0.55  0.31  0.65  1.0
  Au  Au3  1  0.31  0.0  0.39  1.0

Co Ir Ir Au