data_BaVRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.23
_cell_length_b   4.38
_cell_length_c   6.56
_cell_angle_alpha   90.0
_cell_angle_beta   104.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaVRu2
_chemical_formula_sum   'Ba1 V1 Ru2'
_cell_volume   89.88
_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
  Ba  Ba0  1  0.69  0.19  0.87  1.0
  V  V3  1  0.08  0.0  0.28  1.0
  Ru  Ru1  1  0.88  0.0  0.62  1.0
  Ru  Ru2  1  0.02  0.19  0.78  1.0

data_BaVRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   4.38
_cell_length_c   6.56
_cell_angle_alpha   90.0
_cell_angle_beta   104.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaVRu2
_chemical_formula_sum   'Ba1 V1 Ru2'
_cell_volume   89.88
_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
  Ba  Ba0  1  0.69  0.19  0.87  1.0
  V  V1  1  0.08  0.0  0.28  1.0
  Ru  Ru2  1  0.02  0.19  0.78  1.0
  Ru  Ru3  1  0.88  0.0  0.62  1.0

Ba V Ru Ru