data_AlRu2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   2.95
_cell_angle_alpha   106.12
_cell_angle_beta   106.12
_cell_angle_gamma   112.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlRu2Cl
_chemical_formula_sum   'Al1 Ru2 Cl1'
_cell_volume   59.79
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.66  0.9  0.27  1.0
  Ru  Ru3  1  0.66  0.1  0.27  1.0
  Cl  Cl1  1  0.79  0.0  0.0  1.0

data_AlRu2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   4.84
_cell_length_c   5.04
_cell_angle_alpha   118.07
_cell_angle_beta   106.12
_cell_angle_gamma   91.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlRu2Cl
_chemical_formula_sum   'Al1 Ru2 Cl1'
_cell_volume   59.79
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.17  0.9  0.56  1.0
  Ru  Ru2  1  0.37  0.1  0.76  1.0
  Cl  Cl3  1  -0.0  0.0  0.79  1.0

Al Ru Ru Cl