data_MoAu2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.77
_cell_length_b   6.77
_cell_length_c   6.77
_cell_angle_alpha   155.72
_cell_angle_beta   142.09
_cell_angle_gamma   45.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoAu2Cl
_chemical_formula_sum   'Mo1 Au2 Cl1'
_cell_volume   78.13
_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  Mo3  1  0.0  0.0  0.24  1.0
  Au  Au0  1  0.0  0.2  0.47  1.0
  Au  Au1  1  0.42  0.0  0.77  1.0
  Cl  Cl2  1  0.0  0.0  0.0  1.0

data_MoAu2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   4.4
_cell_length_c   6.77
_cell_angle_alpha   108.96
_cell_angle_beta   102.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoAu2Cl
_chemical_formula_sum   'Mo1 Au2 Cl1'
_cell_volume   78.13
_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  0.0  0.24  0.24  1.0
  Au  Au1  1  0.0  0.77  0.35  1.0
  Au  Au2  1  0.8  0.27  0.27  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Mo Au Au Cl
Mo Au Au Cl 0 1 o o o 0 2 o o o 0 2 - o - 0 3 o o o 1 2 o o o 1 2 - o - 