data_AlIn2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.2
_cell_length_b   5.48
_cell_length_c   5.48
_cell_angle_alpha   37.33
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlIn2Ru
_chemical_formula_sum   'Al1 In2 Ru1'
_cell_volume   76.34
_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  0.57  1.0
  In  In1  1  0.1  0.0  0.39  1.0
  In  In2  1  0.0  0.0  0.45  1.0
  Ru  Ru3  1  0.1  0.0  0.25  1.0

data_AlIn2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.5
_cell_length_b   4.2
_cell_length_c   5.48
_cell_angle_alpha   90.0
_cell_angle_beta   108.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlIn2Ru
_chemical_formula_sum   'Al1 In2 Ru1'
_cell_volume   76.34
_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  0.43  0.0  0.43  1.0
  In  In1  1  0.55  0.0  0.55  1.0
  In  In2  1  0.61  0.1  0.61  1.0
  Ru  Ru3  1  0.75  0.1  0.75  1.0

Al In In Ru
Al In In Ru 0 2 o o o 1 2 o o o 1 3 o o o 