data_NbOsRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79
_cell_length_b   4.79
_cell_length_c   4.79
_cell_angle_alpha   131.73
_cell_angle_beta   131.73
_cell_angle_gamma   70.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbOsRu2
_chemical_formula_sum   'Nb1 Os1 Ru2'
_cell_volume   60.01
_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  0.91  1.0
  Ru  Ru2  1  0.0  0.96  0.95  1.0
  Ru  Ru3  1  0.96  0.0  0.95  1.0

data_NbOsRu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.54
_cell_length_b   5.54
_cell_length_c   4.79
_cell_angle_alpha   90.0
_cell_angle_beta   125.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NbOsRu2
_chemical_formula_sum   'Nb2 Os2 Ru4'
_cell_volume   120.01
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Ru  Ru1  4  0.02  0.02  1.0  1.0
  Os  Os2  2  0.0  0.0  0.91  1.0

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