data_Co2AsAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.46
_cell_length_b   4.46
_cell_length_c   4.8
_cell_angle_alpha   96.87
_cell_angle_beta   96.87
_cell_angle_gamma   37.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2AsAu
_chemical_formula_sum   'Co2 As1 Au1'
_cell_volume   58.06
_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  0.06  0.0  0.24  1.0
  Co  Co3  1  0.12  0.0  0.18  1.0
  As  As0  1  0.81  0.0  0.03  1.0
  Au  Au1  1  0.74  0.0  0.69  1.0

data_Co2AsAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   4.46
_cell_length_c   4.8
_cell_angle_alpha   96.87
_cell_angle_beta   90.0
_cell_angle_gamma   108.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2AsAu
_chemical_formula_sum   'Co2 As1 Au1'
_cell_volume   58.06
_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  0.88  0.82  1.0
  Co  Co1  1  0.0  0.94  0.76  1.0
  As  As2  1  0.0  0.19  0.97  1.0
  Au  Au3  1  0.0  0.26  0.31  1.0

Co Co As Au