data_Mo2AuCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.87
_cell_length_b   4.44
_cell_length_c   5.51
_cell_angle_alpha   90.0
_cell_angle_beta   104.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo2AuCl
_chemical_formula_sum   'Mo2 Au1 Cl1'
_cell_volume   68.06
_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
  Mo  Mo2  1  0.13  0.22  0.25  1.0
  Mo  Mo3  1  0.98  0.0  0.06  1.0
  Au  Au0  1  0.56  0.22  0.63  1.0
  Cl  Cl1  1  0.2  0.0  0.41  1.0

data_Mo2AuCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   4.44
_cell_length_c   5.51
_cell_angle_alpha   90.0
_cell_angle_beta   104.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo2AuCl
_chemical_formula_sum   'Mo2 Au1 Cl1'
_cell_volume   68.06
_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
  Mo  Mo0  1  0.13  0.22  0.25  1.0
  Mo  Mo1  1  0.98  0.0  0.06  1.0
  Au  Au2  1  0.56  0.22  0.63  1.0
  Cl  Cl3  1  0.2  0.0  0.41  1.0

Mo Mo Au Cl