data_AlCo2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   4.81
_cell_angle_alpha   144.07
_cell_angle_beta   129.41
_cell_angle_gamma   63.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCo2Ru
_chemical_formula_sum   'Al1 Co2 Ru1'
_cell_volume   49.75
_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  0.18  1.0
  Co  Co1  1  0.0  0.05  0.08  1.0
  Co  Co2  1  0.0  0.0  0.99  1.0
  Ru  Ru3  1  0.0  0.05  0.0  1.0

data_AlCo2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.97
_cell_length_b   4.11
_cell_length_c   4.81
_cell_angle_alpha   115.3
_cell_angle_beta   107.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCo2Ru
_chemical_formula_sum   'Al1 Co2 Ru1'
_cell_volume   49.75
_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  0.18  0.18  1.0
  Co  Co1  1  0.0  0.99  0.99  1.0
  Co  Co2  1  0.95  0.03  0.03  1.0
  Ru  Ru3  1  0.95  0.95  0.95  1.0

Al Co Co Ru