data_Ru2AuCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.18
_cell_length_b   4.18
_cell_length_c   5.67
_cell_angle_alpha   99.61
_cell_angle_beta   99.61
_cell_angle_gamma   40.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ru2AuCl
_chemical_formula_sum   'Ru2 Au1 Cl1'
_cell_volume   63.76
_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
  Ru  Ru2  1  0.66  0.0  0.11  1.0
  Ru  Ru3  1  0.16  0.0  0.47  1.0
  Au  Au0  1  0.41  0.0  0.79  1.0
  Cl  Cl1  1  0.0  0.0  0.0  1.0

data_Ru2AuCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   4.18
_cell_length_c   5.67
_cell_angle_alpha   99.61
_cell_angle_beta   90.0
_cell_angle_gamma   110.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ru2AuCl
_chemical_formula_sum   'Ru2 Au1 Cl1'
_cell_volume   63.76
_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
  Ru  Ru0  1  0.0  0.34  0.89  1.0
  Ru  Ru1  1  0.0  0.84  0.53  1.0
  Au  Au2  1  0.0  0.59  0.21  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Ru Ru Au Cl
Ru Ru Au Cl 0 2 o o - 0 3 + o o 1 2 o o o 2 3 o o + 