data_AlCrRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   5.06
_cell_angle_alpha   146.63
_cell_angle_beta   146.63
_cell_angle_gamma   47.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCrRu
_chemical_formula_sum   'Al1 Cr1 Ru1'
_cell_volume   39.13
_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  0.24  1.0
  Cr  Cr1  1  0.0  0.0  0.05  1.0
  Ru  Ru2  1  0.0  0.0  0.22  1.0

data_AlCrRu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.11
_cell_length_b   4.11
_cell_length_c   5.06
_cell_angle_alpha   90.0
_cell_angle_beta   113.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AlCrRu
_chemical_formula_sum   'Al2 Cr2 Ru2'
_cell_volume   78.26
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.24  0.0  0.24  1.0
  Cr  Cr1  2  0.05  0.0  0.05  1.0
  Ru  Ru2  2  0.22  0.0  0.22  1.0

Al Cr Ru