data_CoMo2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.73
_cell_length_b   4.73
_cell_length_c   4.94
_cell_angle_alpha   98.69
_cell_angle_beta   98.69
_cell_angle_gamma   33.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoMo2Au
_chemical_formula_sum   'Co1 Mo2 Au1'
_cell_volume   60.32
_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  0.72  0.0  0.75  1.0
  Mo  Mo2  1  0.2  0.0  0.79  1.0
  Mo  Mo3  1  0.59  0.0  0.19  1.0
  Au  Au0  1  0.17  0.0  0.47  1.0

data_CoMo2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.73
_cell_length_b   4.73
_cell_length_c   4.94
_cell_angle_alpha   98.69
_cell_angle_beta   90.0
_cell_angle_gamma   106.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoMo2Au
_chemical_formula_sum   'Co1 Mo2 Au1'
_cell_volume   60.32
_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  0.28  0.25  1.0
  Mo  Mo1  1  0.0  0.41  0.81  1.0
  Mo  Mo2  1  0.0  0.8  0.21  1.0
  Au  Au3  1  0.0  0.83  0.53  1.0

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