data_Co2RuAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.1
_cell_length_b   5.16
_cell_length_c   5.16
_cell_angle_alpha   30.01
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2RuAu
_chemical_formula_sum   'Co2 Ru1 Au1'
_cell_volume   54.65
_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  0.91  1.0
  Co  Co2  1  0.05  0.0  0.13  1.0
  Ru  Ru3  1  0.0  0.0  0.1  1.0
  Au  Au0  1  0.05  0.0  0.72  1.0

data_Co2RuAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.67
_cell_length_b   4.1
_cell_length_c   5.16
_cell_angle_alpha   90.0
_cell_angle_beta   105.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2RuAu
_chemical_formula_sum   'Co2 Ru1 Au1'
_cell_volume   54.65
_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  0.09  0.0  0.09  1.0
  Co  Co1  1  0.87  0.05  0.87  1.0
  Ru  Ru2  1  0.9  0.0  0.9  1.0
  Au  Au3  1  0.28  0.05  0.28  1.0

Co Co Ru Au