data_Y(GeRu)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.8
_cell_length_b   5.8
_cell_length_c   5.8
_cell_angle_alpha   136.91
_cell_angle_beta   136.91
_cell_angle_gamma   62.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y(GeRu)2
_chemical_formula_sum   'Y1 Ge2 Ru2'
_cell_volume   89.87
_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
  Y  Y4  1  0.0  0.0  0.0  1.0
  Ge  Ge0  1  0.0  0.0  0.24  1.0
  Ge  Ge1  1  0.0  0.0  0.67  1.0
  Ru  Ru2  1  0.13  0.0  0.48  1.0
  Ru  Ru3  1  0.0  0.13  0.48  1.0

data_Y(GeRu)2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.02
_cell_length_b   6.02
_cell_length_c   5.8
_cell_angle_alpha   90.0
_cell_angle_beta   121.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Y(GeRu)2
_chemical_formula_sum   'Y2 Ge4 Ru4'
_cell_volume   179.74
_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
  Y  Y0  2  0.0  0.0  0.0  1.0
  Ge  Ge1  2  0.26  0.5  0.76  1.0
  Ge  Ge2  2  0.33  0.0  0.33  1.0
  Ru  Ru3  4  0.09  0.44  0.65  1.0

Y Ge Ge Ru Ru