data_AlVRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.41
_cell_length_b   8.41
_cell_length_c   8.41
_cell_angle_alpha   19.13
_cell_angle_beta   19.13
_cell_angle_gamma   19.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlVRu2
_chemical_formula_sum   'Al1 V1 Ru2'
_cell_volume   55.88
_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  0.0  1.0
  V  V3  1  0.0  0.0  0.38  1.0
  Ru  Ru1  1  0.0  0.0  0.16  1.0
  Ru  Ru2  1  0.0  0.0  0.6  1.0

data_AlVRu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.84
_cell_length_b   2.8
_cell_length_c   8.41
_cell_angle_alpha   90.0
_cell_angle_beta   101.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AlVRu2
_chemical_formula_sum   'Al2 V2 Ru4'
_cell_volume   111.77
_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
  Al  Al0  2  0.0  0.0  0.0  1.0
  V  V1  2  0.0  0.0  0.62  1.0
  Ru  Ru2  2  0.0  0.0  0.4  1.0
  Ru  Ru3  2  0.0  0.0  0.84  1.0

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