data_Bi2IrRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.92
_cell_length_b   3.99
_cell_length_c   6.69
_cell_angle_alpha   90.0
_cell_angle_beta   91.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Bi2IrRu
_chemical_formula_sum   'Bi2 Ir1 Ru1'
_cell_volume   104.72
_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  0.44  1.0  0.07  1.0
  Bi  Bi1  1  0.28  0.0  0.29  1.0
  Ir  Ir2  1  0.38  1.0  0.17  1.0
  Ru  Ru3  1  0.34  0.0  0.2  1.0

data_Bi2IrRu
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.92
_cell_length_b   3.99
_cell_length_c   6.69
_cell_angle_alpha   90.0
_cell_angle_beta   91.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Bi2IrRu
_chemical_formula_sum   'Bi2 Ir1 Ru1'
_cell_volume   104.72
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.28  0.5  0.29  1.0
  Bi  Bi1  1  0.44  0.5  0.07  1.0
  Ru  Ru2  1  0.34  0.5  0.2  1.0
  Ir  Ir3  1  0.38  0.5  0.17  1.0

Bi Bi Ir Ru