data_NbOsRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.79
_cell_length_b   3.85
_cell_length_c   5.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbOsRu2
_chemical_formula_sum   'Nb1 Os1 Ru2'
_cell_volume   60.23
_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
  Nb  Nb0  1  0.0  0.0  0.0  1.0
  Os  Os1  1  0.0  0.0  0.81  1.0
  Ru  Ru2  1  0.39  0.92  0.14  1.0
  Ru  Ru3  1  0.39  0.92  0.48  1.0

data_NbOsRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   3.85
_cell_length_c   5.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbOsRu2
_chemical_formula_sum   'Nb1 Os1 Ru2'
_cell_volume   60.23
_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
  Nb  Nb0  1  0.0  0.0  0.0  1.0
  Os  Os1  1  0.0  0.0  0.81  1.0
  Ru  Ru2  1  0.39  0.92  0.14  1.0
  Ru  Ru3  1  0.39  0.92  0.48  1.0

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