data_BaNaRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.75
_cell_length_b   5.75
_cell_length_c   5.75
_cell_angle_alpha   137.63
_cell_angle_beta   137.63
_cell_angle_gamma   61.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNaRu2
_chemical_formula_sum   'Ba1 Na1 Ru2'
_cell_volume   85.34
_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  0.94  1.0
  Na  Na1  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.08  0.0  0.47  1.0
  Ru  Ru3  1  0.0  0.08  0.47  1.0

data_BaNaRu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.88
_cell_length_b   5.88
_cell_length_c   5.75
_cell_angle_alpha   90.0
_cell_angle_beta   120.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaNaRu2
_chemical_formula_sum   'Ba2 Na2 Ru4'
_cell_volume   170.68
_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  0.94  1.0
  Na  Na1  2  0.0  0.0  0.0  1.0
  Ru  Ru2  4  0.46  0.46  0.39  1.0

Ba Na Ru Ru
Ba Na Ru Ru 0 1 o o + 2 3 o o o 