data_AlNiRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.38
_cell_length_b   6.17
_cell_length_c   2.66
_cell_angle_alpha   82.15
_cell_angle_beta   73.45
_cell_angle_gamma   24.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNiRu
_chemical_formula_sum   'Al1 Ni1 Ru1'
_cell_volume   39.46
_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  0.5  0.2  0.06  1.0
  Ni  Ni1  1  0.5  0.2  0.91  1.0
  Ru  Ru2  1  0.5  0.2  0.02  1.0

data_AlNiRu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.0
_cell_length_b   11.98
_cell_length_c   2.66
_cell_angle_alpha   90.0
_cell_angle_beta   124.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AlNiRu
_chemical_formula_sum   'Al2 Ni2 Ru2'
_cell_volume   78.92
_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  0.5  0.0  0.55  1.0
  Ni  Ni1  2  0.5  0.0  0.41  1.0
  Ru  Ru2  2  0.5  0.0  0.51  1.0

Al Ni Ru