data_SrY2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.7
_cell_length_b   9.7
_cell_length_c   9.7
_cell_angle_alpha   24.48
_cell_angle_beta   24.48
_cell_angle_gamma   24.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrY2Ru
_chemical_formula_sum   'Sr1 Y2 Ru1'
_cell_volume   137.83
_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
  Sr  Sr1  1  0.0  0.0  0.0  1.0
  Y  Y2  1  0.0  0.0  0.12  1.0
  Y  Y3  1  0.0  0.0  0.09  1.0
  Ru  Ru0  1  0.0  0.0  0.11  1.0

data_SrY2Ru
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.13
_cell_length_b   4.11
_cell_length_c   9.7
_cell_angle_alpha   90.0
_cell_angle_beta   104.17
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrY2Ru
_chemical_formula_sum   'Sr2 Y4 Ru2'
_cell_volume   275.66
_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
  Sr  Sr0  2  0.0  0.0  0.0  1.0
  Y  Y1  2  0.0  0.0  0.88  1.0
  Y  Y2  2  0.0  0.0  0.91  1.0
  Ru  Ru3  2  0.0  0.0  0.89  1.0

Sr Y Y Ru
Sr Y Y Ru 0 3 o o o 0 2 o o o 1 3 o o o 2 3 o o o 