data_AlBRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.64
_cell_length_b   4.64
_cell_length_c   4.64
_cell_angle_alpha   143.98
_cell_angle_beta   121.02
_cell_angle_gamma   71.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlBRu2
_chemical_formula_sum   'Al1 B1 Ru2'
_cell_volume   49.33
_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  0.0  0.77  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.43  0.0  0.54  1.0
  Ru  Ru3  1  0.0  0.28  0.23  1.0

data_AlBRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   4.56
_cell_length_c   4.64
_cell_angle_alpha   119.49
_cell_angle_beta   108.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlBRu2
_chemical_formula_sum   'Al1 B1 Ru2'
_cell_volume   49.33
_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  0.77  0.77  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.0  0.54  0.11  1.0
  Ru  Ru3  1  0.72  0.94  0.94  1.0

Al B Ru Ru