data_Ba6Ru7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.35
_cell_length_b   14.35
_cell_length_c   14.35
_cell_angle_alpha   21.86
_cell_angle_beta   21.86
_cell_angle_gamma   21.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba6Ru7
_chemical_formula_sum   'Ba6 Ru7'
_cell_volume   359.26
_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  0.18  1.0
  Ba  Ba1  1  0.0  0.0  0.83  1.0
  Ba  Ba2  1  0.0  0.0  0.59  1.0
  Ba  Ba3  1  0.0  0.0  0.41  1.0
  Ba  Ba4  1  0.0  0.0  0.48  1.0
  Ba  Ba5  1  0.0  0.0  0.53  1.0
  Ru  Ru6  1  0.0  0.56  0.44  1.0
  Ru  Ru7  1  0.35  0.22  0.44  1.0
  Ru  Ru8  1  0.65  0.22  0.44  1.0
  Ru  Ru9  1  0.0  0.44  0.57  1.0
  Ru  Ru10  1  0.35  0.78  0.57  1.0
  Ru  Ru11  1  0.65  0.78  0.57  1.0
  Ru  Ru12  1  0.0  0.0  0.0  1.0

data_Ba6Ru7
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.44
_cell_length_b   5.44
_cell_length_c   14.35
_cell_angle_alpha   79.07
_cell_angle_beta   79.07
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba6Ru7
_chemical_formula_sum   'Ba6 Ru7'
_cell_volume   359.26
_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  0.17  0.83  1.0
  Ba  Ba1  1  0.0  0.41  0.59  1.0
  Ba  Ba2  1  0.0  0.47  0.53  1.0
  Ba  Ba3  1  0.0  0.52  0.48  1.0
  Ba  Ba4  1  0.0  0.59  0.41  1.0
  Ba  Ba5  1  0.0  0.82  0.18  1.0
  Ru  Ru6  1  0.0  0.0  0.0  1.0
  Ru  Ru7  1  0.22  0.43  0.0  1.0
  Ru  Ru8  1  0.22  0.43  0.7  1.0
  Ru  Ru9  1  0.44  0.56  0.99  1.0
  Ru  Ru10  1  0.56  0.43  0.02  1.0
  Ru  Ru11  1  0.78  0.56  0.01  1.0
  Ru  Ru12  1  0.78  0.56  0.31  1.0

Ba Ba Ba Ba Ba Ba Ru Ru Ru Ru Ru Ru Ru