data_NbAsRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   4.99
_cell_angle_alpha   135.45
_cell_angle_beta   135.45
_cell_angle_gamma   64.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbAsRu2
_chemical_formula_sum   'Nb1 As1 Ru2'
_cell_volume   60.25
_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  0.89  0.0  0.11  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.0  0.0  0.21  1.0
  Ru  Ru3  1  0.0  0.89  0.11  1.0

data_NbAsRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.78
_cell_length_b   3.78
_cell_length_c   4.99
_cell_angle_alpha   112.28
_cell_angle_beta   112.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbAsRu2
_chemical_formula_sum   'Nb1 As1 Ru2'
_cell_volume   60.25
_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  0.89  0.0  0.79  1.0
  As  As1  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.79  0.89  0.79  1.0
  Ru  Ru3  1  0.79  0.0  0.79  1.0

Nb As Ru Ru
Nb As Ru Ru 0 2 + o o 0 1 + o o 1 3 o - o 1 2 o o o 2 3 o - o 