data_Al2BiRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.38
_cell_length_b   5.38
_cell_length_c   5.38
_cell_angle_alpha   143.16
_cell_angle_beta   126.13
_cell_angle_gamma   67.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2BiRu
_chemical_formula_sum   'Al2 Bi1 Ru1'
_cell_volume   74.38
_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
  Al  Al0  1  0.0  0.44  0.33  1.0
  Al  Al1  1  0.0  0.0  0.1  1.0
  Bi  Bi2  1  0.0  0.44  0.06  1.0
  Ru  Ru3  1  0.0  0.0  0.96  1.0

data_Al2BiRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.4
_cell_length_b   4.88
_cell_length_c   5.38
_cell_angle_alpha   116.93
_cell_angle_beta   108.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2BiRu
_chemical_formula_sum   'Al2 Bi1 Ru1'
_cell_volume   74.38
_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
  Al  Al0  1  0.67  0.11  0.11  1.0
  Al  Al1  1  0.9  0.9  0.9  1.0
  Bi  Bi2  1  0.94  0.37  0.37  1.0
  Ru  Ru3  1  0.04  0.04  0.04  1.0

Al Al Bi Ru