data_RuAuCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.54
_cell_length_b   3.54
_cell_length_c   7.4
_cell_angle_alpha   95.4
_cell_angle_beta   95.4
_cell_angle_gamma   58.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RuAuCl2
_chemical_formula_sum   'Ru1 Au1 Cl2'
_cell_volume   78.63
_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  Ru3  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.69  0.0  0.68  1.0
  Cl  Cl1  1  0.12  0.0  0.25  1.0
  Cl  Cl2  1  0.27  0.0  0.11  1.0

data_RuAuCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.45
_cell_length_b   3.54
_cell_length_c   7.4
_cell_angle_alpha   95.4
_cell_angle_beta   90.0
_cell_angle_gamma   119.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RuAuCl2
_chemical_formula_sum   'Ru1 Au1 Cl2'
_cell_volume   78.63
_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  0.0  0.0  1.0
  Au  Au1  1  0.0  0.31  0.32  1.0
  Cl  Cl2  1  0.0  0.73  0.89  1.0
  Cl  Cl3  1  0.0  0.88  0.75  1.0

Ru Au Cl Cl