data_BaNiRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.25
_cell_length_b   6.25
_cell_length_c   6.25
_cell_angle_alpha   40.0
_cell_angle_beta   40.0
_cell_angle_gamma   40.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNiRu2
_chemical_formula_sum   'Ba1 Ni1 Ru2'
_cell_volume   90.99
_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  0.0  0.0  0.57  1.0
  Ni  Ni1  1  0.0  0.0  0.87  1.0
  Ru  Ru2  1  0.0  0.0  0.1  1.0
  Ru  Ru3  1  0.0  0.0  0.37  1.0

data_BaNiRu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.41
_cell_length_b   4.28
_cell_length_c   6.25
_cell_angle_alpha   90.0
_cell_angle_beta   113.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaNiRu2
_chemical_formula_sum   'Ba2 Ni2 Ru4'
_cell_volume   181.97
_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
  Ba  Ba0  2  0.0  0.0  0.43  1.0
  Ni  Ni1  2  0.0  0.0  0.13  1.0
  Ru  Ru2  2  0.0  0.0  0.63  1.0
  Ru  Ru3  2  0.0  0.0  0.9  1.0

Ba Ni Ru Ru