data_NaOs2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   2.64
_cell_angle_alpha   99.62
_cell_angle_beta   99.62
_cell_angle_gamma   119.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaOs2Ru
_chemical_formula_sum   'Na1 Os2 Ru1'
_cell_volume   59.96
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Os  Os1  1  0.89  0.26  0.25  1.0
  Os  Os2  1  0.89  0.74  0.25  1.0
  Ru  Ru3  1  0.65  0.0  0.0  1.0

data_NaOs2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.64
_cell_length_b   5.09
_cell_length_c   5.25
_cell_angle_alpha   116.16
_cell_angle_beta   99.62
_cell_angle_gamma   100.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaOs2Ru
_chemical_formula_sum   'Na1 Os2 Ru1'
_cell_volume   59.96
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.0  0.0  0.65  1.0
  Os  Os2  1  0.51  0.26  0.15  1.0
  Os  Os3  1  0.99  0.74  0.63  1.0

Na Os Os Ru
Na Os Os Ru 0 1 - o o 0 3 - o o 0 2 - - o 1 3 o o o 