data_VAg2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.65
_cell_length_b   2.65
_cell_length_c   9.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VAg2Ru
_chemical_formula_sum   'V1 Ag2 Ru1'
_cell_volume   62.96
_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  0.0  1.0
  Ag  Ag0  1  0.53  0.0  0.34  1.0
  Ag  Ag1  1  0.53  0.0  0.18  1.0
  Ru  Ru2  1  0.0  0.0  0.76  1.0

data_VAg2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.65
_cell_length_b   2.65
_cell_length_c   9.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VAg2Ru
_chemical_formula_sum   'V1 Ag2 Ru1'
_cell_volume   62.96
_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  V0  1  0.0  0.0  0.0  1.0
  Ag  Ag1  1  0.53  0.0  0.18  1.0
  Ag  Ag2  1  0.53  0.0  0.34  1.0
  Ru  Ru3  1  0.0  0.0  0.76  1.0

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