data_Co2AuCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.43
_cell_length_b   3.22
_cell_length_c   6.07
_cell_angle_alpha   90.0
_cell_angle_beta   93.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2AuCl
_chemical_formula_sum   'Co2 Au1 Cl1'
_cell_volume   66.83
_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  Co2  1  0.25  0.61  0.85  1.0
  Co  Co3  1  0.81  0.61  0.21  1.0
  Au  Au0  1  0.53  0.0  0.03  1.0
  Cl  Cl1  1  0.0  0.0  0.0  1.0

data_Co2AuCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   3.43
_cell_length_c   6.07
_cell_angle_alpha   93.41
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2AuCl
_chemical_formula_sum   'Co2 Au1 Cl1'
_cell_volume   66.83
_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  0.39  0.19  0.79  1.0
  Co  Co1  1  0.39  0.75  0.15  1.0
  Au  Au2  1  0.0  0.47  0.97  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Co Co Au Cl