data_BaSnRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.24
_cell_length_b   6.24
_cell_length_c   6.24
_cell_angle_alpha   151.18
_cell_angle_beta   131.1
_cell_angle_gamma   57.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSnRu2
_chemical_formula_sum   'Ba1 Sn1 Ru2'
_cell_volume   87.46
_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  0.58  0.77  1.0
  Sn  Sn3  1  0.0  0.0  0.06  1.0
  Ru  Ru1  1  0.0  0.0  0.48  1.0
  Ru  Ru2  1  0.55  0.0  0.62  1.0

data_BaSnRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   5.16
_cell_length_c   6.24
_cell_angle_alpha   114.45
_cell_angle_beta   104.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSnRu2
_chemical_formula_sum   'Ba1 Sn1 Ru2'
_cell_volume   87.46
_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  0.42  0.19  0.19  1.0
  Sn  Sn1  1  0.0  0.06  0.06  1.0
  Ru  Ru2  1  0.0  0.48  0.48  1.0
  Ru  Ru3  1  0.0  0.62  0.07  1.0

Ba Sn Ru Ru
Ba Sn Ru Ru 0 1 o + + 0 2 o o o 0 2 o + + 0 3 o + + 0 3 - + o 1 2 o o o 1 3 o o o 1 3 - o - 2 3 o o o 3 3 o + + 