data_SrSn2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.51
_cell_length_b   6.51
_cell_length_c   6.51
_cell_angle_alpha   40.82
_cell_angle_beta   40.82
_cell_angle_gamma   40.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrSn2Ru
_chemical_formula_sum   'Sr1 Sn2 Ru1'
_cell_volume   106.18
_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  Sr3  1  0.0  0.0  0.85  1.0
  Sn  Sn1  1  0.0  0.0  0.86  1.0
  Sn  Sn2  1  0.0  0.0  0.14  1.0
  Ru  Ru0  1  0.0  0.0  0.07  1.0

data_SrSn2Ru
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.86
_cell_length_b   4.54
_cell_length_c   6.51
_cell_angle_alpha   90.0
_cell_angle_beta   113.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrSn2Ru
_chemical_formula_sum   'Sr2 Sn4 Ru2'
_cell_volume   212.36
_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  0.15  1.0
  Sn  Sn1  2  0.0  0.0  0.14  1.0
  Sn  Sn2  2  0.0  0.0  0.86  1.0
  Ru  Ru3  2  0.0  0.0  0.93  1.0

Sr Sn Sn Ru
Sr Sn Sn Ru 0 1 o o o 2 3 o o o 