data_NbAg2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.99
_cell_length_b   9.99
_cell_length_c   9.99
_cell_angle_alpha   16.14
_cell_angle_beta   16.14
_cell_angle_gamma   16.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbAg2Ru
_chemical_formula_sum   'Nb1 Ag2 Ru1'
_cell_volume   67.12
_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  Nb2  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.0  0.0  0.25  1.0
  Ag  Ag1  1  0.0  0.0  0.32  1.0
  Ru  Ru3  1  0.0  0.0  0.79  1.0

data_NbAg2Ru
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.86
_cell_length_b   2.8
_cell_length_c   9.99
_cell_angle_alpha   90.0
_cell_angle_beta   99.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NbAg2Ru
_chemical_formula_sum   'Nb2 Ag4 Ru2'
_cell_volume   134.25
_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
  Ag  Ag1  2  -0.0  0.0  0.68  1.0
  Ag  Ag2  2  -0.0  0.0  0.75  1.0
  Ru  Ru3  2  -0.0  0.0  0.21  1.0

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