data_Co2MoAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   2.64
_cell_angle_alpha   103.26
_cell_angle_beta   103.26
_cell_angle_gamma   115.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2MoAu
_chemical_formula_sum   'Co2 Mo1 Au1'
_cell_volume   56.88
_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  0.8  0.82  0.19  1.0
  Co  Co2  1  0.8  0.18  0.19  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.74  0.0  0.0  1.0

data_Co2MoAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.64
_cell_length_b   4.96
_cell_length_c   5.15
_cell_angle_alpha   117.87
_cell_angle_beta   103.26
_cell_angle_gamma   93.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2MoAu
_chemical_formula_sum   'Co2 Mo1 Au1'
_cell_volume   56.88
_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  0.01  0.82  0.63  1.0
  Co  Co1  1  0.37  0.18  0.98  1.0
  Mo  Mo2  1  0.0  0.0  0.0  1.0
  Au  Au3  1  0.0  0.0  0.74  1.0

Co Co Mo Au
Co Co Mo Au 0 3 o + o 0 2 + + o 1 3 o o o 2 3 - o o 