data_BiIr2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.95
_cell_length_b   4.43
_cell_length_c   5.51
_cell_angle_alpha   90.0
_cell_angle_beta   101.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiIr2Ru
_chemical_formula_sum   'Bi1 Ir2 Ru1'
_cell_volume   70.39
_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  0.89  0.21  0.25  1.0
  Ir  Ir1  1  0.43  0.0  0.0  1.0
  Ir  Ir2  1  0.41  0.21  0.59  1.0
  Ru  Ru3  1  0.97  0.0  0.26  1.0

data_BiIr2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   4.43
_cell_length_c   5.51
_cell_angle_alpha   90.0
_cell_angle_beta   101.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiIr2Ru
_chemical_formula_sum   'Bi1 Ir2 Ru1'
_cell_volume   70.39
_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  0.89  0.21  0.25  1.0
  Ir  Ir1  1  0.41  0.21  0.59  1.0
  Ir  Ir2  1  0.43  0.0  0.0  1.0
  Ru  Ru3  1  0.97  0.0  0.26  1.0

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