data_AlOs2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.72
_cell_length_b   2.72
_cell_length_c   8.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   117.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlOs2Ru
_chemical_formula_sum   'Al1 Os2 Ru1'
_cell_volume   57.6
_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  0.21  1.0
  Os  Os1  1  0.42  0.0  0.08  1.0
  Os  Os2  1  0.0  0.0  0.55  1.0
  Ru  Ru3  1  0.42  0.0  0.28  1.0

data_AlOs2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.72
_cell_length_b   2.72
_cell_length_c   8.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   117.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlOs2Ru
_chemical_formula_sum   'Al1 Os2 Ru1'
_cell_volume   57.6
_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  0.21  1.0
  Os  Os1  1  0.0  0.0  0.55  1.0
  Os  Os2  1  0.42  0.0  0.08  1.0
  Ru  Ru3  1  0.42  0.0  0.28  1.0

Al Os Os Ru
Al Os Os Ru 0 3 o o o 0 1 o o o 0 1 - o o 0 2 o o o 1 3 o o o 2 2 + + o 2 2 o + o 2 2 + o o 2 3 - o o 2 3 o o o 