data_VAgRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.22
_cell_length_b   3.22
_cell_length_c   5.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VAgRu2
_chemical_formula_sum   'V1 Ag1 Ru2'
_cell_volume   61.54
_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
  V  V3  1  0.0  0.0  0.62  1.0
  Ag  Ag0  1  0.61  0.61  0.42  1.0
  Ru  Ru1  1  0.0  0.0  0.22  1.0
  Ru  Ru2  1  0.61  0.61  0.63  1.0

data_VAgRu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.56
_cell_length_b   4.56
_cell_length_c   5.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   VAgRu2
_chemical_formula_sum   'V2 Ag2 Ru4'
_cell_volume   123.08
_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
  V  V0  2  0.0  0.0  0.62  1.0
  Ag  Ag1  2  0.11  0.5  0.42  1.0
  Ru  Ru2  2  0.0  0.0  0.22  1.0
  Ru  Ru3  2  0.11  0.5  0.63  1.0

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