data_CoBiRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.95
_cell_length_b   3.65
_cell_length_c   6.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoBiRu2
_chemical_formula_sum   'Co1 Bi1 Ru2'
_cell_volume   64.79
_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
  Co  Co1  1  0.0  0.0  0.75  1.0
  Bi  Bi0  1  0.47  0.82  0.11  1.0
  Ru  Ru2  1  0.47  0.82  0.99  1.0
  Ru  Ru3  1  0.0  0.0  0.22  1.0

data_CoBiRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   3.65
_cell_length_c   6.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoBiRu2
_chemical_formula_sum   'Co1 Bi1 Ru2'
_cell_volume   64.79
_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
  Co  Co0  1  0.0  0.0  0.75  1.0
  Bi  Bi1  1  0.47  0.82  0.11  1.0
  Ru  Ru2  1  0.0  0.0  0.22  1.0
  Ru  Ru3  1  0.47  0.82  0.99  1.0

Co Bi Ru Ru
Co Bi Ru Ru 0 2 - - o 0 2 o - o 0 1 o - + 1 2 o o - 1 3 + + o 1 3 o + o 2 3 o + + 