data_NbAlRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.63
_cell_length_b   8.63
_cell_length_c   8.63
_cell_angle_alpha   19.14
_cell_angle_beta   19.14
_cell_angle_gamma   19.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbAlRu2
_chemical_formula_sum   'Nb1 Al1 Ru2'
_cell_volume   60.37
_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  Nb1  1  0.0  0.0  0.7  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.0  0.0  0.96  1.0
  Ru  Ru3  1  0.0  0.0  0.44  1.0

data_NbAlRu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.97
_cell_length_b   2.87
_cell_length_c   8.63
_cell_angle_alpha   90.0
_cell_angle_beta   101.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NbAlRu2
_chemical_formula_sum   'Nb2 Al2 Ru4'
_cell_volume   120.75
_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  0.3  1.0
  Al  Al1  2  0.0  0.0  0.0  1.0
  Ru  Ru2  2  0.0  0.0  0.56  1.0
  Ru  Ru3  2  0.0  0.0  0.04  1.0

Nb Al Ru Ru