data_AlSi2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   4.35
_cell_angle_alpha   95.47
_cell_angle_beta   95.47
_cell_angle_gamma   38.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlSi2Ru
_chemical_formula_sum   'Al1 Si2 Ru1'
_cell_volume   55.06
_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  0.99  0.0  0.16  1.0
  Si  Si2  1  0.09  0.0  0.05  1.0
  Si  Si3  1  0.83  0.0  0.28  1.0
  Ru  Ru1  1  0.28  0.0  0.0  1.0

data_AlSi2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.97
_cell_length_b   4.35
_cell_length_c   4.53
_cell_angle_alpha   95.47
_cell_angle_beta   109.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlSi2Ru
_chemical_formula_sum   'Al1 Si2 Ru1'
_cell_volume   55.06
_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  0.16  0.99  1.0
  Si  Si1  1  0.0  0.05  0.09  1.0
  Si  Si2  1  0.0  0.28  0.83  1.0
  Ru  Ru3  1  0.0  0.0  0.28  1.0

Al Si Si Ru
Al Si Si Ru 0 1 + o o 0 2 o o o 1 3 o o o 