data_BaSiRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.37
_cell_length_b   6.37
_cell_length_c   6.37
_cell_angle_alpha   39.94
_cell_angle_beta   39.94
_cell_angle_gamma   39.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSiRu2
_chemical_formula_sum   'Ba1 Si1 Ru2'
_cell_volume   95.83
_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  0.78  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.0  0.0  0.92  1.0
  Ru  Ru2  1  0.0  0.0  0.63  1.0

data_BaSiRu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.53
_cell_length_b   4.35
_cell_length_c   6.37
_cell_angle_alpha   90.0
_cell_angle_beta   113.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaSiRu2
_chemical_formula_sum   'Ba2 Si2 Ru4'
_cell_volume   191.65
_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  0.22  1.0
  Si  Si1  2  0.0  0.0  0.0  1.0
  Ru  Ru2  2  0.0  0.0  0.08  1.0
  Ru  Ru3  2  0.0  0.0  0.37  1.0

Ba Si Ru Ru