data_Bi2Os2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.11
_cell_length_b   9.11
_cell_length_c   9.11
_cell_angle_alpha   157.93
_cell_angle_beta   157.93
_cell_angle_gamma   31.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Bi2Os2Ru
_chemical_formula_sum   'Bi2 Os2 Ru1'
_cell_volume   106.69
_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
  Bi  Bi0  1  0.0  0.0  0.47  1.0
  Bi  Bi1  1  0.0  0.0  0.07  1.0
  Os  Os2  1  0.0  0.74  0.39  1.0
  Os  Os3  1  0.74  0.0  0.39  1.0
  Ru  Ru4  1  0.0  0.0  0.0  1.0

data_Bi2Os2Ru
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   9.11
_cell_angle_alpha   90.0
_cell_angle_beta   105.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Bi2Os2Ru
_chemical_formula_sum   'Bi4 Os4 Ru2'
_cell_volume   213.37
_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
  Bi  Bi0  2  0.0  0.0  0.53  1.0
  Bi  Bi1  2  0.0  0.0  0.93  1.0
  Os  Os2  4  0.37  0.63  0.36  1.0
  Ru  Ru3  2  0.0  0.0  0.0  1.0

Bi Bi Os Os Ru
Bi Bi Os Os Ru 0 3 - o o 0 2 o - o 1 4 o o o 2 3 - + o 