data_Nb5Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.41
_cell_length_b   5.41
_cell_length_c   6.51
_cell_angle_alpha   107.74
_cell_angle_beta   107.74
_cell_angle_gamma   35.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb5Ru
_chemical_formula_sum   'Nb5 Ru1'
_cell_volume   103.69
_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  0.18  0.0  0.07  1.0
  Nb  Nb1  1  0.12  0.0  0.06  1.0
  Nb  Nb2  1  0.0  0.0  0.0  1.0
  Nb  Nb3  1  0.12  0.0  0.11  1.0
  Nb  Nb4  1  0.07  0.0  0.1  1.0
  Ru  Ru5  1  0.96  0.0  0.08  1.0

data_Nb5Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   5.41
_cell_length_c   6.51
_cell_angle_alpha   107.74
_cell_angle_beta   90.0
_cell_angle_gamma   107.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb5Ru
_chemical_formula_sum   'Nb5 Ru1'
_cell_volume   103.69
_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
  Nb  Nb1  1  0.0  0.82  0.93  1.0
  Nb  Nb2  1  0.0  0.88  0.94  1.0
  Nb  Nb3  1  0.0  0.88  0.89  1.0
  Nb  Nb4  1  0.0  0.93  0.9  1.0
  Ru  Ru5  1  0.0  0.04  0.92  1.0

Nb Nb Nb Nb Nb Ru
Nb Nb Nb Nb Nb Ru 0 1 o o o 1 2 o o o 2 5 - o o 2 4 o o o 3 4 o o o 4 5 - o o 