data_AlV2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97
_cell_length_b   4.97
_cell_length_c   4.97
_cell_angle_alpha   144.91
_cell_angle_beta   128.37
_cell_angle_gamma   63.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlV2Ru
_chemical_formula_sum   'Al1 V2 Ru1'
_cell_volume   54.7
_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
  Al  Al0  1  0.0  0.0  0.24  1.0
  V  V2  1  0.0  0.0  0.01  1.0
  V  V3  1  0.5  0.0  1.0  1.0
  Ru  Ru1  1  0.0  0.16  0.19  1.0

data_AlV2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.0
_cell_length_b   4.33
_cell_length_c   4.97
_cell_angle_alpha   115.82
_cell_angle_beta   107.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlV2Ru
_chemical_formula_sum   'Al1 V2 Ru1'
_cell_volume   54.7
_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
  Al  Al0  1  0.0  0.24  0.24  1.0
  V  V1  1  0.0  0.01  0.01  1.0
  V  V2  1  0.0  1.0  0.5  1.0
  Ru  Ru3  1  0.84  0.02  0.02  1.0

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