data_BiIrRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.73
_cell_length_b   4.73
_cell_length_c   5.21
_cell_angle_alpha   100.45
_cell_angle_beta   100.45
_cell_angle_gamma   36.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiIrRu2
_chemical_formula_sum   'Bi1 Ir1 Ru2'
_cell_volume   68.49
_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  0.99  0.0  0.56  1.0
  Ir  Ir1  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.52  0.0  0.07  1.0
  Ru  Ru3  1  0.47  0.0  0.05  1.0

data_BiIrRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   4.73
_cell_length_c   5.21
_cell_angle_alpha   100.45
_cell_angle_beta   90.0
_cell_angle_gamma   108.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiIrRu2
_chemical_formula_sum   'Bi1 Ir1 Ru2'
_cell_volume   68.49
_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  0.01  0.44  1.0
  Ir  Ir1  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.0  0.48  0.93  1.0
  Ru  Ru3  1  0.0  0.53  0.95  1.0

Bi Ir Ru Ru